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119511-09-0 molecular structure
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1-fluoro-3-(4-propylcyclohexyl)benzene

ChemBase ID: 290075
Molecular Formular: C15H21F
Molecular Mass: 220.3256432
Monoisotopic Mass: 220.16272889
SMILES and InChIs

SMILES:
CCCC1CCC(c2cc(F)ccc2)CC1
Canonical SMILES:
CCCC1CCC(CC1)c1cccc(c1)F
InChI:
InChI=1S/C15H21F/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h3,5-6,11-13H,2,4,7-10H2,1H3
InChIKey:
UCPPGQWSQUGPEY-UHFFFAOYSA-N

Cite this record

CBID:290075 http://www.chembase.cn/molecule-290075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-3-(4-propylcyclohexyl)benzene
IUPAC Traditional name
1-fluoro-3-(4-propylcyclohexyl)benzene
Synonyms
1-Fluoro-3-(4-propylcyclohexyl)benzene
CAS Number
119511-09-0
PubChem SID
180675606
PubChem CID
15255728

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD227442 Please log in.
Data Source Data ID
PubChem 15255728 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.4070935  LogD (pH = 7.4) 5.4070935 
Log P 5.4070935  Molar Refractivity 66.2166 cm3
Polarizability 25.751429 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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