(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine

C12H13ClFNO — CID 62381046

IUPAC(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCC(C)c1c(CN)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C12H13ClFNO/c1-6(2)11-8-3-7(14)4-9(13)12(8)16-10(11)5-15/h3-4,6H,5,15H2,1-2H3
InChIKeyRCWMHOPLLOVFKP-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.81
Rot. Bonds2

About (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine

(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine (PubChem CID 62381046) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
PubChem CID62381046
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCC(C)c1c(CN)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C12H13ClFNO/c1-6(2)11-8-3-7(14)4-9(13)12(8)16-10(11)5-15/h3-4,6H,5,15H2,1-2H3
InChIKeyRCWMHOPLLOVFKP-UHFFFAOYSA-N
XLogP3.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-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 (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine (CID 62381046) is (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine is CC(C)c1c(CN)oc2c(Cl)cc(F)cc12.
What is the InChIKey of (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The InChIKey is RCWMHOPLLOVFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-6(2)11-8-3-7(14)4-9(13)12(8)16-10(11)5-15/h3-4,6H,5,15H2,1-2H3.
What are the key properties of (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine has a molecular weight of 241.69 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62381046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).