2-methyl-6-(trifluoromethyl)oct-6-en-2-ol

C10H17F3O — CID 141318923

IUPAC2-methyl-6-(trifluoromethyl)oct-6-en-2-ol
SMILESCC=C(CCCC(C)(C)O)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-4-8(10(11,12)13)6-5-7-9(2,3)14/h4,14H,5-7H2,1-3H3
InChIKeyDUKLRASMJALCSR-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol

2-methyl-6-(trifluoromethyl)oct-6-en-2-ol (PubChem CID 141318923) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)oct-6-en-2-ol
PubChem CID141318923
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-methyl-6-(trifluoromethyl)oct-6-en-2-ol
SMILESCC=C(CCCC(C)(C)O)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-4-8(10(11,12)13)6-5-7-9(2,3)14/h4,14H,5-7H2,1-3H3
InChIKeyDUKLRASMJALCSR-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(trifluoromethyl)oct-6-en-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 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol (CID 141318923) is 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol is CC=C(CCCC(C)(C)O)C(F)(F)F.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol?
The InChIKey is DUKLRASMJALCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-4-8(10(11,12)13)6-5-7-9(2,3)14/h4,14H,5-7H2,1-3H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol?
2-methyl-6-(trifluoromethyl)oct-6-en-2-ol has a molecular weight of 210.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)oct-6-en-2-ol is sourced from PubChem (CID 141318923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).