5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol

C13H20F6O — CID 88977063

IUPAC5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=CC(C)(CC)CC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O/c1-6-10(5,7-2)8-9(3,4)11(20,12(14,15)16)13(17,18)19/h6,20H,1,7-8H2,2-5H3
InChIKeyKPKVYISQKIZAIQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.86
Rot. Bonds5

About 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol

5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 88977063) has the molecular formula C13H20F6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

Compound Name5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol
PubChem CID88977063
Molecular FormulaC13H20F6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=CC(C)(CC)CC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O/c1-6-10(5,7-2)8-9(3,4)11(20,12(14,15)16)13(17,18)19/h6,20H,1,7-8H2,2-5H3
InChIKeyKPKVYISQKIZAIQ-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-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 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol?
The IUPAC name of 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol (CID 88977063) is 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol.
What is the SMILES notation for 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol?
The canonical SMILES for 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol is C=CC(C)(CC)CC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol?
The InChIKey is KPKVYISQKIZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O/c1-6-10(5,7-2)8-9(3,4)11(20,12(14,15)16)13(17,18)19/h6,20H,1,7-8H2,2-5H3.
What are the key properties of 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol?
5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol has a molecular weight of 306.29 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 88977063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).