1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene

C23H26F4 — CID 143875385

IUPAC1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene
SMILESCCC1=CC=C(C2CCC(/C=C/c3ccc(C)c(F)c3F)CC2)C(F)C1F
InChIInChI=1S/C23H26F4/c1-3-16-12-13-19(23(27)21(16)25)17-9-5-15(6-10-17)7-11-18-8-4-14(2)20(24)22(18)26/h4,7-8,11-13,15,17,21,23H,3,5-6,9-10H2,1-2H3/b11-7+
InChIKeyMDVFPWSBACVGGY-YRNVUSSQSA-N
MW378.45 g/mol
LogP7.05
Rot. Bonds4

About 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene

1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene (PubChem CID 143875385) has the molecular formula C23H26F4 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene
PubChem CID143875385
Molecular FormulaC23H26F4
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Name1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene
SMILESCCC1=CC=C(C2CCC(/C=C/c3ccc(C)c(F)c3F)CC2)C(F)C1F
InChIInChI=1S/C23H26F4/c1-3-16-12-13-19(23(27)21(16)25)17-9-5-15(6-10-17)7-11-18-8-4-14(2)20(24)22(18)26/h4,7-8,11-13,15,17,21,23H,3,5-6,9-10H2,1-2H3/b11-7+
InChIKeyMDVFPWSBACVGGY-YRNVUSSQSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene with MolForge

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Related Compounds

1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene
CID 58141399
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 77469312
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58140997
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 88977772
2,3-difluoro-1-[4-[2-(2-fluorophenyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 76658190
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250
1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 77470717
1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene
CID 129043308
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
5-[4-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)phenyl]-5,6-difluorocyclohexa-1,3-dien-1-yl]-2-methyloxane
CID 143772539
1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 152846017

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene (CID 143875385) is 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene is CCC1=CC=C(C2CCC(/C=C/c3ccc(C)c(F)c3F)CC2)C(F)C1F.
What is the InChIKey of 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is MDVFPWSBACVGGY-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H26F4/c1-3-16-12-13-19(23(27)21(16)25)17-9-5-15(6-10-17)7-11-18-8-4-14(2)20(24)22(18)26/h4,7-8,11-13,15,17,21,23H,3,5-6,9-10H2,1-2H3/b11-7+.
What are the key properties of 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene?
1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 378.45 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(4-ethyl-5,6-difluorocyclohexa-1,3-dien-1-yl)cyclohexyl]ethenyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 143875385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).