2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol

C11H17F3N2O — CID 114272606

IUPAC2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol
SMILESCCn1cnc(C(C)(O)CCCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-3-16-7-9(15-8-16)10(2,17)5-4-6-11(12,13)14/h7-8,17H,3-6H2,1-2H3
InChIKeyYPXNHHVQFQCRGB-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.84
Rot. Bonds5

About 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol

2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 114272606) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID114272606
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol
SMILESCCn1cnc(C(C)(O)CCCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-3-16-7-9(15-8-16)10(2,17)5-4-6-11(12,13)14/h7-8,17H,3-6H2,1-2H3
InChIKeyYPXNHHVQFQCRGB-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethylimidazol-4-yl)-6,6,6-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-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol (CID 114272606) is 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol is CCn1cnc(C(C)(O)CCCC(F)(F)F)c1.
What is the InChIKey of 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is YPXNHHVQFQCRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-16-7-9(15-8-16)10(2,17)5-4-6-11(12,13)14/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol?
2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 250.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-4-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 114272606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).