2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone

C10H12F3N3O2 — CID 62582147

IUPAC2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(C2CCCCC2O)nn1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(18)6-5-16(15-14-6)7-3-1-2-4-8(7)17/h5,7-8,17H,1-4H2
InChIKeyKYLFTNSHKOQHNY-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.50
Rot. Bonds2

About 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone (PubChem CID 62582147) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone
PubChem CID62582147
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(C2CCCCC2O)nn1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(18)6-5-16(15-14-6)7-3-1-2-4-8(7)17/h5,7-8,17H,1-4H2
InChIKeyKYLFTNSHKOQHNY-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone 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 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone (CID 62582147) is 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone is O=C(c1cn(C2CCCCC2O)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone?
The InChIKey is KYLFTNSHKOQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9(18)6-5-16(15-14-6)7-3-1-2-4-8(7)17/h5,7-8,17H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone has a molecular weight of 263.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-hydroxycyclohexyl)triazol-4-yl]ethanone is sourced from PubChem (CID 62582147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).