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MFCD08687582 molecular structure
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4-(3,4-difluorophenyl)piperidine

ChemBase ID: 270766
Molecular Formular: C11H13F2N
Molecular Mass: 197.2244264
Monoisotopic Mass: 197.10160586
SMILES and InChIs

SMILES:
c1(cc(ccc1F)C1CCNCC1)F
Canonical SMILES:
Fc1ccc(cc1F)C1CCNCC1
InChI:
InChI=1S/C11H13F2N/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey:
AISKKPHNOXOTEH-UHFFFAOYSA-N

Cite this record

CBID:270766 http://www.chembase.cn/molecule-270766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3,4-difluorophenyl)piperidine
IUPAC Traditional name
4-(3,4-difluorophenyl)piperidine
Synonyms
4-(3,4-difluorophenyl)piperidine
MDL Number
MFCD08687582
PubChem SID
164326676
PubChem CID
16244273

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69857 external link Add to cart Please log in.
Data Source Data ID
PubChem 16244273 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8574147  LogD (pH = 7.4) -0.18758422 
Log P 2.3637147  Molar Refractivity 51.9118 cm3
Polarizability 19.593098 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)
2.559 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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