1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one

C17H11F7O2 — CID 87669472

IUPAC1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C17H11F7O2/c1-9(25)15(10-2-5-12(6-3-10)16(19,20)21)11-4-7-13(18)14(8-11)26-17(22,23)24/h2-8,15H,1H3
InChIKeyMPYULXYWELLXQZ-UHFFFAOYSA-N
MW380.26 g/mol
LogP5.46
Rot. Bonds4

About 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one

1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 87669472) has the molecular formula C17H11F7O2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID87669472
Molecular FormulaC17H11F7O2
Molecular Weight380.26 g/mol
Exact Mass380.06
IUPAC Name1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C17H11F7O2/c1-9(25)15(10-2-5-12(6-3-10)16(19,20)21)11-4-7-13(18)14(8-11)26-17(22,23)24/h2-8,15H,1H3
InChIKeyMPYULXYWELLXQZ-UHFFFAOYSA-N
XLogP5.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
CID 69041331
1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
CID 69041667
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
2-[[(1S)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide
CID 87565720
(2S)-2-[[(1R)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide
CID 87566106
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene
CID 143474858
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
(2S)-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-(propan-2-ylamino)pentan-3-one
CID 162561659
methyl (3S)-3-[(2-aminoacetyl)amino]-3-[4-fluoro-3-(trifluoromethoxy)phenyl]propanoate
CID 166849593
2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid
CID 152752658

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one (CID 87669472) is 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one is CC(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is MPYULXYWELLXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F7O2/c1-9(25)15(10-2-5-12(6-3-10)16(19,20)21)11-4-7-13(18)14(8-11)26-17(22,23)24/h2-8,15H,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one?
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 380.26 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 87669472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).