(E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol

C13H21F5O — CID 164669533

IUPAC(E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol
SMILESOCCCCCCCC/C=C/CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11-19/h6,8,19H,1-5,7,9-11H2/b8-6+
InChIKeySCFOHBJDCTWWRD-SOFGYWHQSA-N
MW288.30 g/mol
LogP4.85
Rot. Bonds10

About (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol

(E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol (PubChem CID 164669533) has the molecular formula C13H21F5O and a molecular weight of 288.30 g/mol. Its IUPAC name is (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol.

Molecular Properties

Compound Name(E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol
PubChem CID164669533
Molecular FormulaC13H21F5O
Molecular Weight288.30 g/mol
Exact Mass288.15
IUPAC Name(E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol
SMILESOCCCCCCCC/C=C/CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11-19/h6,8,19H,1-5,7,9-11H2/b8-6+
InChIKeySCFOHBJDCTWWRD-SOFGYWHQSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol 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 (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol?
The IUPAC name of (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol (CID 164669533) is (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol.
What is the SMILES notation for (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol?
The canonical SMILES for (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol is OCCCCCCCC/C=C/CC(F)(F)C(F)(F)F.
What is the InChIKey of (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol?
The InChIKey is SCFOHBJDCTWWRD-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H21F5O/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11-19/h6,8,19H,1-5,7,9-11H2/b8-6+.
What are the key properties of (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol?
(E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol has a molecular weight of 288.30 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12,12,13,13,13-pentafluorotridec-9-en-1-ol is sourced from PubChem (CID 164669533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).