3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine

C13H14F3NO — CID 22144841

IUPAC3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine
SMILESCC(CCN)c1cc(C(F)(F)F)c2ccoc2c1
InChIInChI=1S/C13H14F3NO/c1-8(2-4-17)9-6-11(13(14,15)16)10-3-5-18-12(10)7-9/h3,5-8H,2,4,17H2,1H3
InChIKeyJEXWNGSUHOHXQZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.90
Rot. Bonds3

About 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine

3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine (PubChem CID 22144841) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine
PubChem CID22144841
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine
SMILESCC(CCN)c1cc(C(F)(F)F)c2ccoc2c1
InChIInChI=1S/C13H14F3NO/c1-8(2-4-17)9-6-11(13(14,15)16)10-3-5-18-12(10)7-9/h3,5-8H,2,4,17H2,1H3
InChIKeyJEXWNGSUHOHXQZ-UHFFFAOYSA-N
XLogP3.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine 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-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine?
The IUPAC name of 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine (CID 22144841) is 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine is CC(CCN)c1cc(C(F)(F)F)c2ccoc2c1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine?
The InChIKey is JEXWNGSUHOHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8(2-4-17)9-6-11(13(14,15)16)10-3-5-18-12(10)7-9/h3,5-8H,2,4,17H2,1H3.
What are the key properties of 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine?
3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine has a molecular weight of 257.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine is sourced from PubChem (CID 22144841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).