(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol

C8H13F3O — CID 155378097

IUPAC(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol
SMILESC=CC(C)(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-4-7(2,3)5-6(12)8(9,10)11/h4,6,12H,1,5H2,2-3H3/t6-/m1/s1
InChIKeyMIQIGROGNCKJSU-ZCFIWIBFSA-N
MW182.18 g/mol
LogP2.51
Rot. Bonds3

About (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol

(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol (PubChem CID 155378097) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol
PubChem CID155378097
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol
SMILESC=CC(C)(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-4-7(2,3)5-6(12)8(9,10)11/h4,6,12H,1,5H2,2-3H3/t6-/m1/s1
InChIKeyMIQIGROGNCKJSU-ZCFIWIBFSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-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 (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol (CID 155378097) is (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol is C=CC(C)(C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol?
The InChIKey is MIQIGROGNCKJSU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3O/c1-4-7(2,3)5-6(12)8(9,10)11/h4,6,12H,1,5H2,2-3H3/t6-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol?
(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol has a molecular weight of 182.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol is sourced from PubChem (CID 155378097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).