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939398-48-8 molecular structure
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3,3-difluorocyclopentan-1-amine hydrochloride

ChemBase ID: 239262
Molecular Formular: C5H10ClF2N
Molecular Mass: 157.5894064
Monoisotopic Mass: 157.04698345
SMILES and InChIs

SMILES:
C1(CC(N)CC1)(F)F.Cl
Canonical SMILES:
NC1CCC(C1)(F)F.Cl
InChI:
InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(8)3-5;/h4H,1-3,8H2;1H
InChIKey:
IIUHMNFTPGBLCX-UHFFFAOYSA-N

Cite this record

CBID:239262 http://www.chembase.cn/molecule-239262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-difluorocyclopentan-1-amine hydrochloride
IUPAC Traditional name
3,3-difluorocyclopentan-1-amine hydrochloride
Synonyms
3,3-difluorocyclopentan-1-amine hydrochloride
3,3-Difluorocyclopentanamine hydrochloride
CAS Number
939398-48-8
MDL Number
MFCD15526665
PubChem SID
164295172
PubChem CID
53403836

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53403836 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4429085  LogD (pH = 7.4) -2.0618665 
Log P 0.58235  Molar Refractivity 26.3602 cm3
Polarizability 10.284848 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.194 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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