3-fluoro-4-methyl-1-benzothiophen-2-amine

C9H8FNS — CID 130926134

IUPAC3-fluoro-4-methyl-1-benzothiophen-2-amine
SMILESCc1cccc2sc(N)c(F)c12
InChIInChI=1S/C9H8FNS/c1-5-3-2-4-6-7(5)8(10)9(11)12-6/h2-4H,11H2,1H3
InChIKeyOJYILPGSDNARJI-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.93
Rot. Bonds

About 3-fluoro-4-methyl-1-benzothiophen-2-amine

3-fluoro-4-methyl-1-benzothiophen-2-amine (PubChem CID 130926134) has the molecular formula C9H8FNS and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-benzothiophen-2-amine
PubChem CID130926134
Molecular FormulaC9H8FNS
Molecular Weight181.24 g/mol
Exact Mass181.04
IUPAC Name3-fluoro-4-methyl-1-benzothiophen-2-amine
SMILESCc1cccc2sc(N)c(F)c12
InChIInChI=1S/C9H8FNS/c1-5-3-2-4-6-7(5)8(10)9(11)12-6/h2-4H,11H2,1H3
InChIKeyOJYILPGSDNARJI-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-benzothiophen-2-amine?
The IUPAC name of 3-fluoro-4-methyl-1-benzothiophen-2-amine (CID 130926134) is 3-fluoro-4-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for 3-fluoro-4-methyl-1-benzothiophen-2-amine?
The canonical SMILES for 3-fluoro-4-methyl-1-benzothiophen-2-amine is Cc1cccc2sc(N)c(F)c12.
What is the InChIKey of 3-fluoro-4-methyl-1-benzothiophen-2-amine?
The InChIKey is OJYILPGSDNARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-5-3-2-4-6-7(5)8(10)9(11)12-6/h2-4H,11H2,1H3.
What are the key properties of 3-fluoro-4-methyl-1-benzothiophen-2-amine?
3-fluoro-4-methyl-1-benzothiophen-2-amine has a molecular weight of 181.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 130926134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).