4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one

C17H15F3O — CID 62115398

IUPAC4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESO=C(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O/c18-17(19,20)15-9-6-14(7-10-15)12-16(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2
InChIKeyPBAWLLVEQBGVSF-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.45
Rot. Bonds5

About 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one

4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 62115398) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
PubChem CID62115398
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESO=C(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O/c18-17(19,20)15-9-6-14(7-10-15)12-16(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2
InChIKeyPBAWLLVEQBGVSF-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
4-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 103023880
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 134109996
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516
4-phenyl-1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]butan-2-one
CID 102178004
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 114965023
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one (CID 62115398) is 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one is O=C(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is PBAWLLVEQBGVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c18-17(19,20)15-9-6-14(7-10-15)12-16(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2.
What are the key properties of 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one?
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 292.30 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 62115398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).