[6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine

C10H8F3NO — CID 117121749

IUPAC[6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine
SMILESNCc1coc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-1-2-8-6(4-14)5-15-9(8)3-7/h1-3,5H,4,14H2
InChIKeyMTRIXCXZJOZQDU-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.91
Rot. Bonds1

About [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine

[6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine (PubChem CID 117121749) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine
PubChem CID117121749
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name[6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine
SMILESNCc1coc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-1-2-8-6(4-14)5-15-9(8)3-7/h1-3,5H,4,14H2
InChIKeyMTRIXCXZJOZQDU-UHFFFAOYSA-N
XLogP2.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-(trifluoromethyl)-1-benzofuran-3-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 [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine?
The IUPAC name of [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine (CID 117121749) is [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine is NCc1coc2cc(C(F)(F)F)ccc12.
What is the InChIKey of [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine?
The InChIKey is MTRIXCXZJOZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)7-1-2-8-6(4-14)5-15-9(8)3-7/h1-3,5H,4,14H2.
What are the key properties of [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine?
[6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine has a molecular weight of 215.17 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 117121749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).