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

C17H14F4O — CID 91020415

IUPAC1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C17H14F4O/c1-11-8-13(4-7-16(11)18)10-15(22)9-12-2-5-14(6-3-12)17(19,20)21/h2-8H,9-10H2,1H3
InChIKeyBMTWPIYBGTTZMQ-UHFFFAOYSA-N
MW310.29 g/mol
LogP4.51
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 91020415) has the molecular formula C17H14F4O and a molecular weight of 310.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID91020415
Molecular FormulaC17H14F4O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C17H14F4O/c1-11-8-13(4-7-16(11)18)10-15(22)9-12-2-5-14(6-3-12)17(19,20)21/h2-8H,9-10H2,1H3
InChIKeyBMTWPIYBGTTZMQ-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
1-(4-fluoro-3-methylphenyl)but-3-en-2-one
CID 141051945
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 159440456
1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 114967719
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
4,5,5-trimethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-one
CID 63833110
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 91020415) is 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one is Cc1cc(CC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is BMTWPIYBGTTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4O/c1-11-8-13(4-7-16(11)18)10-15(22)9-12-2-5-14(6-3-12)17(19,20)21/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 310.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 91020415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).