(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol

C11H9F3O — CID 151382014

IUPAC(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol
SMILESOC/C=C/C=C/c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3O/c12-8-6-10(13)9(11(14)7-8)4-2-1-3-5-15/h1-4,6-7,15H,5H2/b3-1+,4-2+
InChIKeyOSPOLKLPXQYRFU-ZPUQHVIOSA-N
MW214.19 g/mol
LogP2.67
Rot. Bonds3

About (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol

(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol (PubChem CID 151382014) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol
PubChem CID151382014
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol
SMILESOC/C=C/C=C/c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3O/c12-8-6-10(13)9(11(14)7-8)4-2-1-3-5-15/h1-4,6-7,15H,5H2/b3-1+,4-2+
InChIKeyOSPOLKLPXQYRFU-ZPUQHVIOSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.67
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-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol (CID 151382014) is (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol is OC/C=C/C=C/c1c(F)cc(F)cc1F.
What is the InChIKey of (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol?
The InChIKey is OSPOLKLPXQYRFU-ZPUQHVIOSA-N. The full InChI is InChI=1S/C11H9F3O/c12-8-6-10(13)9(11(14)7-8)4-2-1-3-5-15/h1-4,6-7,15H,5H2/b3-1+,4-2+.
What are the key properties of (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol?
(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol has a molecular weight of 214.19 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 151382014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).