5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene

C27H27ClF2 — CID 58698585

IUPAC5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
SMILESC[C@H](Cc1c(F)cc(C2CCC(c3ccc(Cl)cc3)CC2)cc1F)c1ccccc1
InChIInChI=1S/C27H27ClF2/c1-18(19-5-3-2-4-6-19)15-25-26(29)16-23(17-27(25)30)22-9-7-20(8-10-22)21-11-13-24(28)14-12-21/h2-6,11-14,16-18,20,22H,7-10,15H2,1H3/t18-,20?,22?/m1/s1
InChIKeyRIFGVBVGNAESSM-HOHBBMLPSA-N
MW424.96 g/mol
LogP8.41
Rot. Bonds5

About 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene

5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene (PubChem CID 58698585) has the molecular formula C27H27ClF2 and a molecular weight of 424.96 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
PubChem CID58698585
Molecular FormulaC27H27ClF2
Molecular Weight424.96 g/mol
Exact Mass424.18
IUPAC Name5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
SMILESC[C@H](Cc1c(F)cc(C2CCC(c3ccc(Cl)cc3)CC2)cc1F)c1ccccc1
InChIInChI=1S/C27H27ClF2/c1-18(19-5-3-2-4-6-19)15-25-26(29)16-23(17-27(25)30)22-9-7-20(8-10-22)21-11-13-24(28)14-12-21/h2-6,11-14,16-18,20,22H,7-10,15H2,1H3/t18-,20?,22?/m1/s1
InChIKeyRIFGVBVGNAESSM-HOHBBMLPSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.96
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene 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 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene?
The IUPAC name of 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene (CID 58698585) is 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene.
What is the SMILES notation for 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene?
The canonical SMILES for 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene is C[C@H](Cc1c(F)cc(C2CCC(c3ccc(Cl)cc3)CC2)cc1F)c1ccccc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene?
The InChIKey is RIFGVBVGNAESSM-HOHBBMLPSA-N. The full InChI is InChI=1S/C27H27ClF2/c1-18(19-5-3-2-4-6-19)15-25-26(29)16-23(17-27(25)30)22-9-7-20(8-10-22)21-11-13-24(28)14-12-21/h2-6,11-14,16-18,20,22H,7-10,15H2,1H3/t18-,20?,22?/m1/s1.
What are the key properties of 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene?
5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene has a molecular weight of 424.96 g/mol, XLogP of 8.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene is sourced from PubChem (CID 58698585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).