1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone

C24H26F4O2 — CID 118287217

IUPAC1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc(C3CCC(C)CC3)cc2)c(C(F)(F)F)c1F
InChIInChI=1S/C24H26F4O2/c1-3-30-21-13-12-19(22(23(21)25)24(26,27)28)20(29)14-16-6-10-18(11-7-16)17-8-4-15(2)5-9-17/h6-7,10-13,15,17H,3-5,8-9,14H2,1-2H3
InChIKeyPVSGQWHNGFEERW-UHFFFAOYSA-N
MW422.46 g/mol
LogP6.96
Rot. Bonds6

About 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone

1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone (PubChem CID 118287217) has the molecular formula C24H26F4O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone
PubChem CID118287217
Molecular FormulaC24H26F4O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc(C3CCC(C)CC3)cc2)c(C(F)(F)F)c1F
InChIInChI=1S/C24H26F4O2/c1-3-30-21-13-12-19(22(23(21)25)24(26,27)28)20(29)14-16-6-10-18(11-7-16)17-8-4-15(2)5-9-17/h6-7,10-13,15,17H,3-5,8-9,14H2,1-2H3
InChIKeyPVSGQWHNGFEERW-UHFFFAOYSA-N
XLogP6.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone with MolForge

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Related Compounds

2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131991313
1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(6-propyloxan-3-yl)phenyl]ethanone
CID 118287213
1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
CID 143115064
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]ethanone
CID 118287269
1-[4-[difluoro-(4-methylcyclohexyl)methoxy]-3-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 131991210
1-[3-fluoro-4-(4-methylcyclohexyl)-2-(trifluoromethyl)phenyl]propan-1-one
CID 131991209
1-(4-ethoxy-3-fluoro-2-methylphenyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]butan-1-one
CID 118283746
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-[3-(difluoromethyl)-4-ethoxy-2-(trifluoromethyl)phenyl]-4-[4-(4-methylcyclohexyl)cyclohexyl]butan-1-one
CID 118287222
1-ethoxy-2,3-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl]benzene
CID 154607279

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone (CID 118287217) is 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone is CCOc1ccc(C(=O)Cc2ccc(C3CCC(C)CC3)cc2)c(C(F)(F)F)c1F.
What is the InChIKey of 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone?
The InChIKey is PVSGQWHNGFEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4O2/c1-3-30-21-13-12-19(22(23(21)25)24(26,27)28)20(29)14-16-6-10-18(11-7-16)17-8-4-15(2)5-9-17/h6-7,10-13,15,17H,3-5,8-9,14H2,1-2H3.
What are the key properties of 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone?
1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone has a molecular weight of 422.46 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone is sourced from PubChem (CID 118287217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).