2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol

C11H19F3O — CID 70644379

IUPAC2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
SMILESCCC(CC)CC(O)(C1CC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-8(4-2)7-10(15,9-5-6-9)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyAIANPUPNUWHMIE-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.52
Rot. Bonds5

About 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol

2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol (PubChem CID 70644379) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
PubChem CID70644379
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
SMILESCCC(CC)CC(O)(C1CC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-8(4-2)7-10(15,9-5-6-9)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyAIANPUPNUWHMIE-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-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-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol?
The IUPAC name of 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol (CID 70644379) is 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol?
The canonical SMILES for 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol is CCC(CC)CC(O)(C1CC1)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol?
The InChIKey is AIANPUPNUWHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-3-8(4-2)7-10(15,9-5-6-9)11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol?
2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol has a molecular weight of 224.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol is sourced from PubChem (CID 70644379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).