1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine

C11H8ClF4NO — CID 166532041

IUPAC1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine
SMILESCc1c(C(N)C(F)(F)F)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C11H8ClF4NO/c1-4-6-2-5(13)3-7(12)9(6)18-8(4)10(17)11(14,15)16/h2-3,10H,17H2,1H3
InChIKeyWRYXFGOAXQUNBC-UHFFFAOYSA-N
MW281.64 g/mol
LogP4.10
Rot. Bonds1

About 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine

1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 166532041) has the molecular formula C11H8ClF4NO and a molecular weight of 281.64 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine
PubChem CID166532041
Molecular FormulaC11H8ClF4NO
Molecular Weight281.64 g/mol
Exact Mass281.02
IUPAC Name1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine
SMILESCc1c(C(N)C(F)(F)F)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C11H8ClF4NO/c1-4-6-2-5(13)3-7(12)9(6)18-8(4)10(17)11(14,15)16/h2-3,10H,17H2,1H3
InChIKeyWRYXFGOAXQUNBC-UHFFFAOYSA-N
XLogP4.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.64
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine 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 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine (CID 166532041) is 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine is Cc1c(C(N)C(F)(F)F)oc2c(Cl)cc(F)cc12.
What is the InChIKey of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is WRYXFGOAXQUNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO/c1-4-6-2-5(13)3-7(12)9(6)18-8(4)10(17)11(14,15)16/h2-3,10H,17H2,1H3.
What are the key properties of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine?
1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 281.64 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 166532041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).