1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene

C24H32F4O — CID 58953087

IUPAC1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene
SMILESCCOC1CCC(c2ccc(/C=C/C3CCC(C)CC3)c(C(F)(F)F)c2F)CC1
InChIInChI=1S/C24H32F4O/c1-3-29-20-13-10-18(11-14-20)21-15-12-19(22(23(21)25)24(26,27)28)9-8-17-6-4-16(2)5-7-17/h8-9,12,15-18,20H,3-7,10-11,13-14H2,1-2H3/b9-8+
InChIKeyLNDCWGRHHXRPHG-CMDGGOBGSA-N
MW412.51 g/mol
LogP7.75
Rot. Bonds5

About 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene

1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene (PubChem CID 58953087) has the molecular formula C24H32F4O and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene
PubChem CID58953087
Molecular FormulaC24H32F4O
Molecular Weight412.51 g/mol
Exact Mass412.24
IUPAC Name1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene
SMILESCCOC1CCC(c2ccc(/C=C/C3CCC(C)CC3)c(C(F)(F)F)c2F)CC1
InChIInChI=1S/C24H32F4O/c1-3-29-20-13-10-18(11-14-20)21-15-12-19(22(23(21)25)24(26,27)28)9-8-17-6-4-16(2)5-7-17/h8-9,12,15-18,20H,3-7,10-11,13-14H2,1-2H3/b9-8+
InChIKeyLNDCWGRHHXRPHG-CMDGGOBGSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-4-[4-[(E)-2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89429620
1-[4-[(E)-2-(2,3-difluoro-4-prop-2-enoxyphenyl)ethenyl]cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89430040
2-[2-fluoro-4-[(E)-2-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]ethenyl]-3-(trifluoromethyl)phenyl]oxirane
CID 89009010
[4-[(E)-2-[3-fluoro-4-(oxiran-2-yl)-2-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 89009018
1-[4-[2-(4-ethyl-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 77470717
1-(4-butoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89430582
1-but-3-enoxy-4-[(E)-2-[4-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89430679
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429642
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-3-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429645
3-fluoro-1-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-4-[(4-methylcyclohexyl)methoxy]-2-(trifluoromethyl)benzene
CID 154547462
3-(difluoromethyl)-2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-2-(4-methylcyclohexyl)ethenyl]benzene
CID 143115066
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-3-(trifluoromethyl)benzene
CID 154547449

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene (CID 58953087) is 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene is CCOC1CCC(c2ccc(/C=C/C3CCC(C)CC3)c(C(F)(F)F)c2F)CC1.
What is the InChIKey of 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene?
The InChIKey is LNDCWGRHHXRPHG-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H32F4O/c1-3-29-20-13-10-18(11-14-20)21-15-12-19(22(23(21)25)24(26,27)28)9-8-17-6-4-16(2)5-7-17/h8-9,12,15-18,20H,3-7,10-11,13-14H2,1-2H3/b9-8+.
What are the key properties of 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene?
1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene has a molecular weight of 412.51 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycyclohexyl)-2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 58953087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).