(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one

C18H15F3O — CID 102234820

IUPAC(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one
SMILESO=C(CC(/C=C/c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H15F3O/c19-18(20,21)16(12-11-14-7-3-1-4-8-14)13-17(22)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+
InChIKeyQPJVHOFUDSRXIN-VAWYXSNFSA-N
MW304.31 g/mol
LogP5.15
Rot. Bonds5

About (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one

(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one (PubChem CID 102234820) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one.

Molecular Properties

Compound Name(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one
PubChem CID102234820
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one
SMILESO=C(CC(/C=C/c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H15F3O/c19-18(20,21)16(12-11-14-7-3-1-4-8-14)13-17(22)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+
InChIKeyQPJVHOFUDSRXIN-VAWYXSNFSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one
CID 53391597
(E,3S)-3-(hydroxymethyl)-5-(4-methylphenyl)-1-phenylpent-4-en-1-one
CID 101476658
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
[(E,2S)-2-benzoyloxy-3-phenacyl-5-phenylpent-4-enyl] benzoate
CID 102291207
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086
(E)-6,6,6-trifluoro-5-hydroxy-1-phenylhex-1-en-3-one
CID 15255295
(2R)-4-oxo-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 59018496
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
4,4,4-trifluoro-3-(nitromethyl)-1-phenylbutan-1-one
CID 14931928
2-[(E,3S)-5-(4-methylphenyl)-5-oxo-1-phenylpent-1-en-3-yl]propanedinitrile
CID 46868173
(2S,3S,4S)-2-methyl-3-[(E)-2-phenylethenyl]-4-(trifluoromethyl)hexanoic acid
CID 102104357
(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one
CID 138969285

Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one?
The IUPAC name of (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one (CID 102234820) is (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one.
What is the SMILES notation for (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one?
The canonical SMILES for (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one is O=C(CC(/C=C/c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one?
The InChIKey is QPJVHOFUDSRXIN-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15F3O/c19-18(20,21)16(12-11-14-7-3-1-4-8-14)13-17(22)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+.
What are the key properties of (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one?
(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one has a molecular weight of 304.31 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one is sourced from PubChem (CID 102234820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).