4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

C22H32F2 — CID 154010858

IUPAC4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESCC(C)(C)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-22(2,3)19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h10,13-17,19H,4-9,11-12H2,1-3H3
InChIKeyMHCZRTTWRHMOGB-UHFFFAOYSA-N
MW334.49 g/mol
LogP7.09
Rot. Bonds2

About 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (PubChem CID 154010858) has the molecular formula C22H32F2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
PubChem CID154010858
Molecular FormulaC22H32F2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESCC(C)(C)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-22(2,3)19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h10,13-17,19H,4-9,11-12H2,1-3H3
InChIKeyMHCZRTTWRHMOGB-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (CID 154010858) is 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is CC(C)(C)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The InChIKey is MHCZRTTWRHMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2/c1-22(2,3)19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h10,13-17,19H,4-9,11-12H2,1-3H3.
What are the key properties of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene has a molecular weight of 334.49 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 154010858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).