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

C29H35F3 — CID 77470717

IUPAC1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCCc1ccc(C=CC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C29H35F3/c1-3-20-6-14-24(27(30)18-20)15-9-21-7-12-23(13-8-21)26-17-16-25(28(31)29(26)32)22-10-4-19(2)5-11-22/h6,9,14-19,21-23H,3-5,7-8,10-13H2,1-2H3
InChIKeySKUYLPFYFPXXOB-UHFFFAOYSA-N
MW440.59 g/mol
LogP8.95
Rot. Bonds5

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

1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 77470717) has the molecular formula C29H35F3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
PubChem CID77470717
Molecular FormulaC29H35F3
Molecular Weight440.59 g/mol
Exact Mass440.27
IUPAC Name1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCCc1ccc(C=CC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C29H35F3/c1-3-20-6-14-24(27(30)18-20)15-9-21-7-12-23(13-8-21)26-17-16-25(28(31)29(26)32)22-10-4-19(2)5-11-22/h6,9,14-19,21-23H,3-5,7-8,10-13H2,1-2H3
InChIKeySKUYLPFYFPXXOB-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 58.95
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-propylcyclohexyl)benzene
CID 77470250
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470247
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
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
1-[4-[(E)-2-[4-(ethoxymethyl)-2-fluorophenyl]ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 89124871
1-(4-butoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89430582
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-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene
CID 58953087
3-(difluoromethyl)-2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-2-(4-methylcyclohexyl)ethenyl]benzene
CID 143115066
1-[4-[(E)-2-(4-butoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89430983

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene (CID 77470717) is 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene is CCc1ccc(C=CC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is SKUYLPFYFPXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3/c1-3-20-6-14-24(27(30)18-20)15-9-21-7-12-23(13-8-21)26-17-16-25(28(31)29(26)32)22-10-4-19(2)5-11-22/h6,9,14-19,21-23H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 440.59 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 77470717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).