(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one

C19H12F6O — CID 5373276

IUPAC(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F6O/c20-18(21,22)15-7-1-13(2-8-15)5-11-17(26)12-6-14-3-9-16(10-4-14)19(23,24)25/h1-12H/b11-5+,12-6+
InChIKeyOIUBVYQZMUKRRF-YDWXAUTNSA-N
MW370.29 g/mol
LogP6.02
Rot. Bonds4

About (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one

(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one (PubChem CID 5373276) has the molecular formula C19H12F6O and a molecular weight of 370.29 g/mol. Its IUPAC name is (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
PubChem CID5373276
Molecular FormulaC19H12F6O
Molecular Weight370.29 g/mol
Exact Mass370.08
IUPAC Name(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F6O/c20-18(21,22)15-7-1-13(2-8-15)5-11-17(26)12-6-14-3-9-16(10-4-14)19(23,24)25/h1-12H/b11-5+,12-6+
InChIKeyOIUBVYQZMUKRRF-YDWXAUTNSA-N
XLogP6.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one (CID 5373276) is (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one is O=C(/C=C/c1ccc(C(F)(F)F)cc1)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?
The InChIKey is OIUBVYQZMUKRRF-YDWXAUTNSA-N. The full InChI is InChI=1S/C19H12F6O/c20-18(21,22)15-7-1-13(2-8-15)5-11-17(26)12-6-14-3-9-16(10-4-14)19(23,24)25/h1-12H/b11-5+,12-6+.
What are the key properties of (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?
(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one has a molecular weight of 370.29 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 5373276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).