1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene

C31H33F3 — CID 77470319

IUPAC1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
SMILESCCCc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C31H33F3/c1-3-5-23-11-18-27(29(32)20-23)24-14-8-22(9-15-24)10-16-26-17-19-28(31(34)30(26)33)25-12-6-21(4-2)7-13-25/h6-7,10-13,16-20,22,24H,3-5,8-9,14-15H2,1-2H3
InChIKeyFTGGOLREMVQIKD-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.27
Rot. Bonds7

About 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene

1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene (PubChem CID 77470319) has the molecular formula C31H33F3 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
PubChem CID77470319
Molecular FormulaC31H33F3
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC Name1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
SMILESCCCc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C31H33F3/c1-3-5-23-11-18-27(29(32)20-23)24-14-8-22(9-15-24)10-16-26-17-19-28(31(34)30(26)33)25-12-6-21(4-2)7-13-25/h6-7,10-13,16-20,22,24H,3-5,8-9,14-15H2,1-2H3
InChIKeyFTGGOLREMVQIKD-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 77469312
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470247
[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol
CID 77470327
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250
1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470302
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470774
1-[4-[(E)-2-[4-(ethoxymethyl)-2-fluorophenyl]ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 89124871
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 77470278
1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 77470717
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 88977772

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene?
The IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene (CID 77470319) is 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene is CCCc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene?
The InChIKey is FTGGOLREMVQIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3/c1-3-5-23-11-18-27(29(32)20-23)24-14-8-22(9-15-24)10-16-26-17-19-28(31(34)30(26)33)25-12-6-21(4-2)7-13-25/h6-7,10-13,16-20,22,24H,3-5,8-9,14-15H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene?
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene has a molecular weight of 462.60 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene is sourced from PubChem (CID 77470319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).