3-amino-7-fluoro-1-benzofuran-2-carbonitrile

C9H5FN2O — CID 83816610

IUPAC3-amino-7-fluoro-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2c(F)cccc2c1N
InChIInChI=1S/C9H5FN2O/c10-6-3-1-2-5-8(12)7(4-11)13-9(5)6/h1-3H,12H2
InChIKeyTVUODJPZJLRZTO-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.03
Rot. Bonds

About 3-amino-7-fluoro-1-benzofuran-2-carbonitrile

3-amino-7-fluoro-1-benzofuran-2-carbonitrile (PubChem CID 83816610) has the molecular formula C9H5FN2O and a molecular weight of 176.15 g/mol. Its IUPAC name is 3-amino-7-fluoro-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-amino-7-fluoro-1-benzofuran-2-carbonitrile
PubChem CID83816610
Molecular FormulaC9H5FN2O
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name3-amino-7-fluoro-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2c(F)cccc2c1N
InChIInChI=1S/C9H5FN2O/c10-6-3-1-2-5-8(12)7(4-11)13-9(5)6/h1-3H,12H2
InChIKeyTVUODJPZJLRZTO-UHFFFAOYSA-N
XLogP2.03
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-7-fluoro-1-benzofuran-2-carbonitrile 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-amino-7-fluoro-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-amino-7-fluoro-1-benzofuran-2-carbonitrile (CID 83816610) is 3-amino-7-fluoro-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-amino-7-fluoro-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-amino-7-fluoro-1-benzofuran-2-carbonitrile is N#Cc1oc2c(F)cccc2c1N.
What is the InChIKey of 3-amino-7-fluoro-1-benzofuran-2-carbonitrile?
The InChIKey is TVUODJPZJLRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O/c10-6-3-1-2-5-8(12)7(4-11)13-9(5)6/h1-3H,12H2.
What are the key properties of 3-amino-7-fluoro-1-benzofuran-2-carbonitrile?
3-amino-7-fluoro-1-benzofuran-2-carbonitrile has a molecular weight of 176.15 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-fluoro-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 83816610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).