(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one

C14H20F2O2 — CID 71720467

IUPAC(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one
SMILESC/C=C/C=C/C(O)C(F)(F)C(=O)/C=C/CCCC
InChIInChI=1S/C14H20F2O2/c1-3-5-7-9-11-13(18)14(15,16)12(17)10-8-6-4-2/h4,6,8-12,17H,3,5,7H2,1-2H3/b6-4+,10-8+,11-9+
InChIKeyFKGFOFXDSNOJEH-CUEVNBJKSA-N
MW258.31 g/mol
LogP3.43
Rot. Bonds8

About (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one

(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one (PubChem CID 71720467) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one.

Molecular Properties

Compound Name(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one
PubChem CID71720467
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one
SMILESC/C=C/C=C/C(O)C(F)(F)C(=O)/C=C/CCCC
InChIInChI=1S/C14H20F2O2/c1-3-5-7-9-11-13(18)14(15,16)12(17)10-8-6-4-2/h4,6,8-12,17H,3,5,7H2,1-2H3/b6-4+,10-8+,11-9+
InChIKeyFKGFOFXDSNOJEH-CUEVNBJKSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one?
The IUPAC name of (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one (CID 71720467) is (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one.
What is the SMILES notation for (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one?
The canonical SMILES for (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one is C/C=C/C=C/C(O)C(F)(F)C(=O)/C=C/CCCC.
What is the InChIKey of (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one?
The InChIKey is FKGFOFXDSNOJEH-CUEVNBJKSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-3-5-7-9-11-13(18)14(15,16)12(17)10-8-6-4-2/h4,6,8-12,17H,3,5,7H2,1-2H3/b6-4+,10-8+,11-9+.
What are the key properties of (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one?
(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one has a molecular weight of 258.31 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one is sourced from PubChem (CID 71720467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).