1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene

C25H30F2 — CID 22886833

IUPAC1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
SMILESCC1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C25H30F2/c1-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24(26)25(27)16-23/h10-20H,2-9H2,1H3
InChIKeyQWACGVXENBUNBG-UHFFFAOYSA-N
MW368.51 g/mol
LogP7.73
Rot. Bonds3

About 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene

1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 22886833) has the molecular formula C25H30F2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
PubChem CID22886833
Molecular FormulaC25H30F2
Molecular Weight368.51 g/mol
Exact Mass368.23
IUPAC Name1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
SMILESCC1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C25H30F2/c1-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24(26)25(27)16-23/h10-20H,2-9H2,1H3
InChIKeyQWACGVXENBUNBG-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene (CID 22886833) is 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene is CC1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
The InChIKey is QWACGVXENBUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2/c1-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24(26)25(27)16-23/h10-20H,2-9H2,1H3.
What are the key properties of 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 368.51 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 22886833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).