3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole

C10H12F3NO — CID 150684920

IUPAC3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole
SMILESFC(F)(F)[C@@H]1CCCC[C@H]1c1ccon1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-6-15-14-9/h5-8H,1-4H2/t7-,8-/m1/s1
InChIKeyJIQOVXPIQBAWBS-HTQZYQBOSA-N
MW219.21 g/mol
LogP3.51
Rot. Bonds1

About 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole

3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole (PubChem CID 150684920) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole
PubChem CID150684920
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole
SMILESFC(F)(F)[C@@H]1CCCC[C@H]1c1ccon1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-6-15-14-9/h5-8H,1-4H2/t7-,8-/m1/s1
InChIKeyJIQOVXPIQBAWBS-HTQZYQBOSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole 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 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
The IUPAC name of 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole (CID 150684920) is 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole.
What is the SMILES notation for 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
The canonical SMILES for 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole is FC(F)(F)[C@@H]1CCCC[C@H]1c1ccon1.
What is the InChIKey of 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
The InChIKey is JIQOVXPIQBAWBS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-6-15-14-9/h5-8H,1-4H2/t7-,8-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole has a molecular weight of 219.21 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazole is sourced from PubChem (CID 150684920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).