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

C23H24F4O2 — CID 131991313

IUPAC2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1F
InChIInChI=1S/C23H24F4O2/c1-2-29-20-13-12-18(21(22(20)24)23(25,26)27)19(28)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h8-13,16H,2-7,14H2,1H3
InChIKeyDSVMVRCPPDVVCO-UHFFFAOYSA-N
MW408.44 g/mol
LogP6.72
Rot. Bonds6

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

2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 131991313) has the molecular formula C23H24F4O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone
PubChem CID131991313
Molecular FormulaC23H24F4O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1F
InChIInChI=1S/C23H24F4O2/c1-2-29-20-13-12-18(21(22(20)24)23(25,26)27)19(28)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h8-13,16H,2-7,14H2,1H3
InChIKeyDSVMVRCPPDVVCO-UHFFFAOYSA-N
XLogP6.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 118287217
1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(6-propyloxan-3-yl)phenyl]ethanone
CID 118287213
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]ethanone
CID 118287269
1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
CID 143115064
(4-cyclohexylphenyl) 2,3-difluoro-4-nonoxybenzoate
CID 54408431
1-(4-ethoxy-3-fluoro-2-methylphenyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]butan-1-one
CID 118283746
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
[4-[4-(4-but-3-enylphenyl)phenyl]cyclohexyl] 4-ethoxy-2,3-difluorobenzoate
CID 154607310
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
1-[4-[difluoro-(4-methylcyclohexyl)methoxy]-3-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 131991210

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone (CID 131991313) is 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone is CCOc1ccc(C(=O)Cc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1F.
What is the InChIKey of 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DSVMVRCPPDVVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4O2/c1-2-29-20-13-12-18(21(22(20)24)23(25,26)27)19(28)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h8-13,16H,2-7,14H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone?
2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 408.44 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 131991313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).