phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

C20H13F3O — CID 132564507

IUPACphenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H13F3O/c21-20(22,23)18-8-4-7-17(13-18)14-9-11-16(12-10-14)19(24)15-5-2-1-3-6-15/h1-13H
InChIKeyGIDQVPULEWAIOW-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.60
Rot. Bonds3

About phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 132564507) has the molecular formula C20H13F3O and a molecular weight of 326.32 g/mol. Its IUPAC name is phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID132564507
Molecular FormulaC20H13F3O
Molecular Weight326.32 g/mol
Exact Mass326.09
IUPAC Namephenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H13F3O/c21-20(22,23)18-8-4-7-17(13-18)14-9-11-16(12-10-14)19(24)15-5-2-1-3-6-15/h1-13H
InChIKeyGIDQVPULEWAIOW-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
phenyl-(4-phenylphenyl)methanone
CID 155775877
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
CID 161391832
CID 161391832
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
2-[1-methyl-5-[4-[3-(trifluoromethyl)phenyl]benzoyl]pyrrol-2-yl]acetic acid
CID 54424803
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22081571
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (CID 132564507) is phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is GIDQVPULEWAIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O/c21-20(22,23)18-8-4-7-17(13-18)14-9-11-16(12-10-14)19(24)15-5-2-1-3-6-15/h1-13H.
What are the key properties of phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 326.32 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 132564507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).