(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol

C13H20F4O — CID 167057990

IUPAC(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol
SMILESCC/C=C\C(C)(C(F)(F)F)C(C)(O)/C(F)=C\CC
InChIInChI=1S/C13H20F4O/c1-5-7-9-11(3,13(15,16)17)12(4,18)10(14)8-6-2/h7-9,18H,5-6H2,1-4H3/b9-7-,10-8+
InChIKeyBQILRCMXIURIEZ-FKJILZIQSA-N
MW268.29 g/mol
LogP4.54
Rot. Bonds5

About (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol

(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol (PubChem CID 167057990) has the molecular formula C13H20F4O and a molecular weight of 268.29 g/mol. Its IUPAC name is (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol.

Molecular Properties

Compound Name(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol
PubChem CID167057990
Molecular FormulaC13H20F4O
Molecular Weight268.29 g/mol
Exact Mass268.15
IUPAC Name(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol
SMILESCC/C=C\C(C)(C(F)(F)F)C(C)(O)/C(F)=C\CC
InChIInChI=1S/C13H20F4O/c1-5-7-9-11(3,13(15,16)17)12(4,18)10(14)8-6-2/h7-9,18H,5-6H2,1-4H3/b9-7-,10-8+
InChIKeyBQILRCMXIURIEZ-FKJILZIQSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-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 (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol?
The IUPAC name of (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol (CID 167057990) is (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol.
What is the SMILES notation for (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol?
The canonical SMILES for (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol is CC/C=C\C(C)(C(F)(F)F)C(C)(O)/C(F)=C\CC.
What is the InChIKey of (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol?
The InChIKey is BQILRCMXIURIEZ-FKJILZIQSA-N. The full InChI is InChI=1S/C13H20F4O/c1-5-7-9-11(3,13(15,16)17)12(4,18)10(14)8-6-2/h7-9,18H,5-6H2,1-4H3/b9-7-,10-8+.
What are the key properties of (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol?
(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol has a molecular weight of 268.29 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol is sourced from PubChem (CID 167057990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).