1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene

C23H25F3 — CID 58141399

IUPAC1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene
SMILESCCc1ccc(/C=C/C2CCC(c3ccc(C)c(F)c3)CC2)c(F)c1F
InChIInChI=1S/C23H25F3/c1-3-17-12-13-19(23(26)22(17)25)11-7-16-5-9-18(10-6-16)20-8-4-15(2)21(24)14-20/h4,7-8,11-14,16,18H,3,5-6,9-10H2,1-2H3/b11-7+
InChIKeyOJXIUMWYQLQLRW-YRNVUSSQSA-N
MW358.45 g/mol
LogP6.96
Rot. Bonds4

About 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene

1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene (PubChem CID 58141399) has the molecular formula C23H25F3 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene
PubChem CID58141399
Molecular FormulaC23H25F3
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene
SMILESCCc1ccc(/C=C/C2CCC(c3ccc(C)c(F)c3)CC2)c(F)c1F
InChIInChI=1S/C23H25F3/c1-3-17-12-13-19(23(26)22(17)25)11-7-16-5-9-18(10-6-16)20-8-4-15(2)21(24)14-20/h4,7-8,11-14,16,18H,3,5-6,9-10H2,1-2H3/b11-7+
InChIKeyOJXIUMWYQLQLRW-YRNVUSSQSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol
CID 76658235
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58140997
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
4-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-2-fluoro-1-methylbenzene
CID 18656305
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 88977772
1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470302
1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene
CID 143875385
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-3-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429645
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446
2-[4-[(E)-2-(4-ethyl-2,3-difluorophenyl)ethenyl]cyclohexyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594074
2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane
CID 76658347
[4-(3-fluoro-4-methylphenyl)cyclohexyl]methylsilane
CID 137329605

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene (CID 58141399) is 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene is CCc1ccc(/C=C/C2CCC(c3ccc(C)c(F)c3)CC2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene?
The InChIKey is OJXIUMWYQLQLRW-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H25F3/c1-3-17-12-13-19(23(26)22(17)25)11-7-16-5-9-18(10-6-16)20-8-4-15(2)21(24)14-20/h4,7-8,11-14,16,18H,3,5-6,9-10H2,1-2H3/b11-7+.
What are the key properties of 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene?
1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene has a molecular weight of 358.45 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene is sourced from PubChem (CID 58141399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).