2-fluoro-7-methoxy-1-benzothiophen-3-amine

C9H8FNOS — CID 130839722

IUPAC2-fluoro-7-methoxy-1-benzothiophen-3-amine
SMILESCOc1cccc2c(N)c(F)sc12
InChIInChI=1S/C9H8FNOS/c1-12-6-4-2-3-5-7(11)9(10)13-8(5)6/h2-4H,11H2,1H3
InChIKeyVEUBAPOUMILTOG-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 2-fluoro-7-methoxy-1-benzothiophen-3-amine

2-fluoro-7-methoxy-1-benzothiophen-3-amine (PubChem CID 130839722) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-fluoro-7-methoxy-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-fluoro-7-methoxy-1-benzothiophen-3-amine
PubChem CID130839722
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name2-fluoro-7-methoxy-1-benzothiophen-3-amine
SMILESCOc1cccc2c(N)c(F)sc12
InChIInChI=1S/C9H8FNOS/c1-12-6-4-2-3-5-7(11)9(10)13-8(5)6/h2-4H,11H2,1H3
InChIKeyVEUBAPOUMILTOG-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methoxy-1-benzothiophen-3-amine?
The IUPAC name of 2-fluoro-7-methoxy-1-benzothiophen-3-amine (CID 130839722) is 2-fluoro-7-methoxy-1-benzothiophen-3-amine.
What is the SMILES notation for 2-fluoro-7-methoxy-1-benzothiophen-3-amine?
The canonical SMILES for 2-fluoro-7-methoxy-1-benzothiophen-3-amine is COc1cccc2c(N)c(F)sc12.
What is the InChIKey of 2-fluoro-7-methoxy-1-benzothiophen-3-amine?
The InChIKey is VEUBAPOUMILTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-6-4-2-3-5-7(11)9(10)13-8(5)6/h2-4H,11H2,1H3.
What are the key properties of 2-fluoro-7-methoxy-1-benzothiophen-3-amine?
2-fluoro-7-methoxy-1-benzothiophen-3-amine has a molecular weight of 197.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methoxy-1-benzothiophen-3-amine is sourced from PubChem (CID 130839722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).