2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene

C12H12ClF3 — CID 177193132

IUPAC2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
SMILESFc1ccc(C2CCC(F)(F)CC2)c(Cl)c1
InChIInChI=1S/C12H12ClF3/c13-11-7-9(14)1-2-10(11)8-3-5-12(15,16)6-4-8/h1-2,7-8H,3-6H2
InChIKeyFIPCLYDUCMSUCF-UHFFFAOYSA-N
MW248.67 g/mol
LogP4.77
Rot. Bonds1

About 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene

2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene (PubChem CID 177193132) has the molecular formula C12H12ClF3 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
PubChem CID177193132
Molecular FormulaC12H12ClF3
Molecular Weight248.67 g/mol
Exact Mass248.06
IUPAC Name2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
SMILESFc1ccc(C2CCC(F)(F)CC2)c(Cl)c1
InChIInChI=1S/C12H12ClF3/c13-11-7-9(14)1-2-10(11)8-3-5-12(15,16)6-4-8/h1-2,7-8H,3-6H2
InChIKeyFIPCLYDUCMSUCF-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-[(3R)-4,4-difluoro-3-methylcyclohexyl]-4-fluorobenzene
CID 177192079
3-chloro-4-(4,4-difluorocyclohexyl)benzoic acid
CID 162444943
4-(4,4-difluorocyclohexyl)-3-fluoroaniline
CID 162444535
3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine
CID 67175533
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol
CID 58076707
6-(4-fluoro-2-methylphenyl)spiro[2.5]octane
CID 177193313
1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
CID 155757718
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine
CID 175832695
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene?
The IUPAC name of 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene (CID 177193132) is 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene is Fc1ccc(C2CCC(F)(F)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene?
The InChIKey is FIPCLYDUCMSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3/c13-11-7-9(14)1-2-10(11)8-3-5-12(15,16)6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene?
2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene has a molecular weight of 248.67 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene is sourced from PubChem (CID 177193132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).