2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene

C32H37F3 — CID 154607322

IUPAC2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CCC4CCC(CCC)CC4)cc3)cc2F)c(F)c1F
InChIInChI=1S/C32H37F3/c1-3-5-22-7-9-23(10-8-22)11-12-24-13-15-25(16-14-24)27-18-19-28(30(33)21-27)29-20-17-26(6-4-2)31(34)32(29)35/h13-23H,3-12H2,1-2H3
InChIKeyWMVVZTHKXSDSHY-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.93
Rot. Bonds9

About 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene

2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene (PubChem CID 154607322) has the molecular formula C32H37F3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
PubChem CID154607322
Molecular FormulaC32H37F3
Molecular Weight478.64 g/mol
Exact Mass478.28
IUPAC Name2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CCC4CCC(CCC)CC4)cc3)cc2F)c(F)c1F
InChIInChI=1S/C32H37F3/c1-3-5-22-7-9-23(10-8-22)11-12-24-13-15-25(16-14-24)27-18-19-28(30(33)21-27)29-20-17-26(6-4-2)31(34)32(29)35/h13-23H,3-12H2,1-2H3
InChIKeyWMVVZTHKXSDSHY-UHFFFAOYSA-N
XLogP9.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
2,3-difluoro-1-(5-methoxypentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 90049299
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21265276
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
2-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-3-fluorophenyl]-5-propyloxane
CID 67732127
1-[4-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 154607339
2,3-difluoro-1-[2-fluoro-4-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethyl]phenyl]-4-propylbenzene
CID 154607361
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene?
The IUPAC name of 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene (CID 154607322) is 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene?
The canonical SMILES for 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene is CCCc1ccc(-c2ccc(-c3ccc(CCC4CCC(CCC)CC4)cc3)cc2F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene?
The InChIKey is WMVVZTHKXSDSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3/c1-3-5-22-7-9-23(10-8-22)11-12-24-13-15-25(16-14-24)27-18-19-28(30(33)21-27)29-20-17-26(6-4-2)31(34)32(29)35/h13-23H,3-12H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene?
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene has a molecular weight of 478.64 g/mol, XLogP of 9.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene is sourced from PubChem (CID 154607322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).