[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine

C9H7F3N2O — CID 82357482

IUPAC[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine
SMILESNCc1ccc2nc(C(F)(F)F)oc2c1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)8-14-6-2-1-5(4-13)3-7(6)15-8/h1-3H,4,13H2
InChIKeyBMQAANVJSJNFBC-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.31
Rot. Bonds1

About [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine

[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine (PubChem CID 82357482) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine
PubChem CID82357482
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine
SMILESNCc1ccc2nc(C(F)(F)F)oc2c1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)8-14-6-2-1-5(4-13)3-7(6)15-8/h1-3H,4,13H2
InChIKeyBMQAANVJSJNFBC-UHFFFAOYSA-N
XLogP2.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine 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-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine (CID 82357482) is [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine is NCc1ccc2nc(C(F)(F)F)oc2c1.
What is the InChIKey of [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine?
The InChIKey is BMQAANVJSJNFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)8-14-6-2-1-5(4-13)3-7(6)15-8/h1-3H,4,13H2.
What are the key properties of [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine?
[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine has a molecular weight of 216.16 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine is sourced from PubChem (CID 82357482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).