(E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol

C17H24F2O — CID 12038416

IUPAC(E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol
SMILESCCCCC(F)(F)/C(C)=C/C(O)CCc1ccccc1
InChIInChI=1S/C17H24F2O/c1-3-4-12-17(18,19)14(2)13-16(20)11-10-15-8-6-5-7-9-15/h5-9,13,16,20H,3-4,10-12H2,1-2H3/b14-13+
InChIKeyBWTGDKPTEUMOQA-BUHFOSPRSA-N
MW282.37 g/mol
LogP4.75
Rot. Bonds8

About (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol

(E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol (PubChem CID 12038416) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol.

Molecular Properties

Compound Name(E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol
PubChem CID12038416
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name(E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol
SMILESCCCCC(F)(F)/C(C)=C/C(O)CCc1ccccc1
InChIInChI=1S/C17H24F2O/c1-3-4-12-17(18,19)14(2)13-16(20)11-10-15-8-6-5-7-9-15/h5-9,13,16,20H,3-4,10-12H2,1-2H3/b14-13+
InChIKeyBWTGDKPTEUMOQA-BUHFOSPRSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-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)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol?
The IUPAC name of (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol (CID 12038416) is (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol.
What is the SMILES notation for (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol?
The canonical SMILES for (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol is CCCCC(F)(F)/C(C)=C/C(O)CCc1ccccc1.
What is the InChIKey of (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol?
The InChIKey is BWTGDKPTEUMOQA-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H24F2O/c1-3-4-12-17(18,19)14(2)13-16(20)11-10-15-8-6-5-7-9-15/h5-9,13,16,20H,3-4,10-12H2,1-2H3/b14-13+.
What are the key properties of (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol?
(E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol has a molecular weight of 282.37 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-difluoro-5-methyl-1-phenyldec-4-en-3-ol is sourced from PubChem (CID 12038416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).