1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one

C16H12F4O — CID 62621173

IUPAC1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4O/c17-14-6-2-4-12(8-14)10-15(21)9-11-3-1-5-13(7-11)16(18,19)20/h1-8H,9-10H2
InChIKeyYDMATXYOAGFUMN-UHFFFAOYSA-N
MW296.26 g/mol
LogP4.20
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 62621173) has the molecular formula C16H12F4O and a molecular weight of 296.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID62621173
Molecular FormulaC16H12F4O
Molecular Weight296.26 g/mol
Exact Mass296.08
IUPAC Name1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4O/c17-14-6-2-4-12(8-14)10-15(21)9-11-3-1-5-13(7-11)16(18,19)20/h1-8H,9-10H2
InChIKeyYDMATXYOAGFUMN-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 91262595
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
6,6,6-trifluoro-1-(3-fluorophenyl)hexan-2-one
CID 115515783
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 62621173) is 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is O=C(Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is YDMATXYOAGFUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O/c17-14-6-2-4-12(8-14)10-15(21)9-11-3-1-5-13(7-11)16(18,19)20/h1-8H,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 296.26 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 62621173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).