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1093759-69-3 molecular structure
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3-(difluoromethyl)piperidine hydrochloride

ChemBase ID: 65278
Molecular Formular: C6H12ClF2N
Molecular Mass: 171.6159864
Monoisotopic Mass: 171.06263351
SMILES and InChIs

SMILES:
C1CNCC(C1)C(F)F.Cl
Canonical SMILES:
FC(C1CCCNC1)F.Cl
InChI:
InChI=1S/C6H11F2N.ClH/c7-6(8)5-2-1-3-9-4-5;/h5-6,9H,1-4H2;1H
InChIKey:
DCSDOLONHQYNBB-UHFFFAOYSA-N

Cite this record

CBID:65278 http://www.chembase.cn/molecule-65278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(difluoromethyl)piperidine hydrochloride
IUPAC Traditional name
3-(difluoromethyl)piperidine hydrochloride
Synonyms
3-Difluoromethylpiperidine hydrochloride
CAS Number
1093759-69-3
MDL Number
MFCD18325187
PubChem SID
162031017
PubChem CID
53346561

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 53346561 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3073342  LogD (pH = 7.4) -1.3628088 
Log P 0.888948  Molar Refractivity 31.1982 cm3
Polarizability 12.086235 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
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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