1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene

C31H39F3 — CID 77470250

IUPAC1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C=CC3CCC(c4ccc(CC)cc4F)CC3)c(F)c2F)CC1
InChIInChI=1S/C31H39F3/c1-3-5-22-6-14-25(15-7-22)28-19-17-26(30(33)31(28)34)16-10-23-8-12-24(13-9-23)27-18-11-21(4-2)20-29(27)32/h10-11,16-20,22-25H,3-9,12-15H2,1-2H3
InChIKeyKVIQXZNDIAZZDG-UHFFFAOYSA-N
MW468.65 g/mol
LogP9.73
Rot. Bonds7

About 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene

1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene (PubChem CID 77470250) has the molecular formula C31H39F3 and a molecular weight of 468.65 g/mol. Its IUPAC name is 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
PubChem CID77470250
Molecular FormulaC31H39F3
Molecular Weight468.65 g/mol
Exact Mass468.30
IUPAC Name1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C=CC3CCC(c4ccc(CC)cc4F)CC3)c(F)c2F)CC1
InChIInChI=1S/C31H39F3/c1-3-5-22-6-14-25(15-7-22)28-19-17-26(30(33)31(28)34)16-10-23-8-12-24(13-9-23)27-18-11-21(4-2)20-29(27)32/h10-11,16-20,22-25H,3-9,12-15H2,1-2H3
InChIKeyKVIQXZNDIAZZDG-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene 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

2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470247
1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 77470717
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 77469312
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 88977772
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58140997
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429642
3-(difluoromethyl)-1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 58953303
1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470391
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene (CID 77470250) is 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(C=CC3CCC(c4ccc(CC)cc4F)CC3)c(F)c2F)CC1.
What is the InChIKey of 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The InChIKey is KVIQXZNDIAZZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39F3/c1-3-5-22-6-14-25(15-7-22)28-19-17-26(30(33)31(28)34)16-10-23-8-12-24(13-9-23)27-18-11-21(4-2)20-29(27)32/h10-11,16-20,22-25H,3-9,12-15H2,1-2H3.
What are the key properties of 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene has a molecular weight of 468.65 g/mol, XLogP of 9.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 77470250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).