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760958-13-2 molecular structure
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4-(difluoromethyl)piperidine hydrochloride

ChemBase ID: 239403
Molecular Formular: C6H12ClF2N
Molecular Mass: 171.6159864
Monoisotopic Mass: 171.06263351
SMILES and InChIs

SMILES:
C(C1CCNCC1)(F)F.Cl
Canonical SMILES:
FC(C1CCNCC1)F.Cl
InChI:
InChI=1S/C6H11F2N.ClH/c7-6(8)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
InChIKey:
GBTVMRGLIWAZPK-UHFFFAOYSA-N

Cite this record

CBID:239403 http://www.chembase.cn/molecule-239403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(difluoromethyl)piperidine hydrochloride
IUPAC Traditional name
4-(difluoromethyl)piperidine hydrochloride
Synonyms
4-(difluoromethyl)piperidine hydrochloride
CAS Number
760958-13-2
MDL Number
MFCD18711662
PubChem SID
164295313
PubChem CID
53346560

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53346560 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6033096  LogD (pH = 7.4) -2.1361814 
Log P 0.6278689  Molar Refractivity 31.559 cm3
Polarizability 12.086226 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.6 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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