3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol

C15H21F3O — CID 123221838

IUPAC3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol
SMILESCC=CC=C(C)C(C)=CC(=CC)C(C)(O)C(F)(F)F
InChIInChI=1S/C15H21F3O/c1-6-8-9-11(3)12(4)10-13(7-2)14(5,19)15(16,17)18/h6-10,19H,1-5H3
InChIKeyPMIGZRLCRZVQJR-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.71
Rot. Bonds4

About 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol

3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol (PubChem CID 123221838) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol.

Molecular Properties

Compound Name3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol
PubChem CID123221838
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol
SMILESCC=CC=C(C)C(C)=CC(=CC)C(C)(O)C(F)(F)F
InChIInChI=1S/C15H21F3O/c1-6-8-9-11(3)12(4)10-13(7-2)14(5,19)15(16,17)18/h6-10,19H,1-5H3
InChIKeyPMIGZRLCRZVQJR-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-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 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol?
The IUPAC name of 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol (CID 123221838) is 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol.
What is the SMILES notation for 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol?
The canonical SMILES for 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol is CC=CC=C(C)C(C)=CC(=CC)C(C)(O)C(F)(F)F.
What is the InChIKey of 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol?
The InChIKey is PMIGZRLCRZVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-6-8-9-11(3)12(4)10-13(7-2)14(5,19)15(16,17)18/h6-10,19H,1-5H3.
What are the key properties of 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol?
3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol has a molecular weight of 274.33 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol is sourced from PubChem (CID 123221838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).