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3-(fluoromethyl)pyrrolidin-3-ol hydrochloride - 97%, high purity , CAS No.1419101-39-5
Basic Description
Synonyms
1419101-39-5 | 3-(fluoromethyl)pyrrolidin-3-ol hydrochloride | 3-(Fluoromethyl)-3-hydroxypyrrolidine HCl | 3-(fluoromethyl)pyrrolidin-3-ol;hydrochloride | 3-(Fluoromethyl)-3-hydroxypyrrolidine hydrochloride | MFCD23106440 | 3-Pyrrolidinol, 3-(fluoromethyl)-, hydrochl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidines
Alternative Parents
Tertiary alcohols Fluorohydrins 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Tertiary alcohol - Pyrrolidine - 1,2-aminoalcohol - Fluorohydrin - Halohydrin - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3-(fluoromethyl)pyrrolidin-3-ol;hydrochloride
INCHI
InChI=1S/C5H10FNO.ClH/c6-3-5(8)1-2-7-4-5;/h7-8H,1-4H2;1H
InChIKey
JSSXLVBXVFEBPS-UHFFFAOYSA-N
Smiles
C1CNCC1(CF)O.Cl
Isomeric SMILES
C1CNCC1(CF)O.Cl
PubChem CID
72208173
Molecular Weight
155.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
155.600 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
155.051 Da
Monoisotopic Mass
155.051 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
88.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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