(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol

C12H11F3O — CID 10868043

IUPAC(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol
SMILESOC/C=C(\C=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H11F3O/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10/h1-8,16H,9H2/b7-6+,11-8+
InChIKeyCFNDFQDFLAEHPB-HRCSPUOPSA-N
MW228.21 g/mol
LogP3.18
Rot. Bonds3

About (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol

(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol (PubChem CID 10868043) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol
PubChem CID10868043
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol
SMILESOC/C=C(\C=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H11F3O/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10/h1-8,16H,9H2/b7-6+,11-8+
InChIKeyCFNDFQDFLAEHPB-HRCSPUOPSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol (CID 10868043) is (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol is OC/C=C(\C=C\c1ccccc1)C(F)(F)F.
What is the InChIKey of (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol?
The InChIKey is CFNDFQDFLAEHPB-HRCSPUOPSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10/h1-8,16H,9H2/b7-6+,11-8+.
What are the key properties of (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol?
(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol has a molecular weight of 228.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 10868043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).