1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene

C26H30F4 — CID 88977772

IUPAC1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(/C=C/C2CCC(c3ccc(CCC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C26H30F4/c1-3-5-19-13-14-21(24(28)23(19)27)12-9-17-7-10-18(11-8-17)22-16-15-20(6-4-2)25(29)26(22)30/h9,12-18H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyIOKNCOCKWKZYQQ-FMIVXFBMSA-N
MW418.52 g/mol
LogP8.14
Rot. Bonds7

About 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene

1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 88977772) has the molecular formula C26H30F4 and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
PubChem CID88977772
Molecular FormulaC26H30F4
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Name1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(/C=C/C2CCC(c3ccc(CCC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C26H30F4/c1-3-5-19-13-14-21(24(28)23(19)27)12-9-17-7-10-18(11-8-17)22-16-15-20(6-4-2)25(29)26(22)30/h9,12-18H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyIOKNCOCKWKZYQQ-FMIVXFBMSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58140997
2,3-difluoro-1-[4-[2-(3-fluoro-4-propylphenyl)ethenyl]cyclohexyl]-4-pentylbenzene
CID 76658226
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470247
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-pentylbenzene
CID 58141647
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-butoxy-4-[4-[(E)-2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89429620
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250
1-[4-[(E)-2-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]ethenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89124531
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 77470717
1-[4-[(E)-2-(2,3-difluoro-4-prop-2-enoxyphenyl)ethenyl]cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89430040

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene (CID 88977772) is 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene is CCCc1ccc(/C=C/C2CCC(c3ccc(CCC)c(F)c3F)CC2)c(F)c1F.
What is the InChIKey of 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is IOKNCOCKWKZYQQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C26H30F4/c1-3-5-19-13-14-21(24(28)23(19)27)12-9-17-7-10-18(11-8-17)22-16-15-20(6-4-2)25(29)26(22)30/h9,12-18H,3-8,10-11H2,1-2H3/b12-9+.
What are the key properties of 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene?
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 418.52 g/mol, XLogP of 8.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 88977772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).