4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene

C24H28F2 — CID 134241732

IUPAC4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
SMILESFc1ccc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F
InChIInChI=1S/C24H28F2/c25-23-15-14-22(16-24(23)26)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h10-19H,1-9H2
InChIKeyFHQIHMYOINRDSR-UHFFFAOYSA-N
MW354.48 g/mol
LogP7.49
Rot. Bonds3

About 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene

4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene (PubChem CID 134241732) has the molecular formula C24H28F2 and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
PubChem CID134241732
Molecular FormulaC24H28F2
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Name4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
SMILESFc1ccc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F
InChIInChI=1S/C24H28F2/c25-23-15-14-22(16-24(23)26)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h10-19H,1-9H2
InChIKeyFHQIHMYOINRDSR-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
CID 19601961
CID 19601961
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
1-chloro-4-(4-cyclohexylcyclohexyl)benzene;5-(4-cyclohexylcyclohexyl)-1,2,3-trifluorobenzene
CID 144554072
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144841355
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 158470893
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
CID 145279398
CID 145279398
2-[[4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59791128
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene (CID 134241732) is 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene is Fc1ccc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F.
What is the InChIKey of 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene?
The InChIKey is FHQIHMYOINRDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2/c25-23-15-14-22(16-24(23)26)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h10-19H,1-9H2.
What are the key properties of 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene?
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene has a molecular weight of 354.48 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene is sourced from PubChem (CID 134241732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).