2-fluoro-5-methoxy-1-benzothiophen-4-amine

C9H8FNOS — CID 131031148

IUPAC2-fluoro-5-methoxy-1-benzothiophen-4-amine
SMILESCOc1ccc2sc(F)cc2c1N
InChIInChI=1S/C9H8FNOS/c1-12-6-2-3-7-5(9(6)11)4-8(10)13-7/h2-4H,11H2,1H3
InChIKeyFLYNKMMEMCYVSK-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 2-fluoro-5-methoxy-1-benzothiophen-4-amine

2-fluoro-5-methoxy-1-benzothiophen-4-amine (PubChem CID 131031148) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-benzothiophen-4-amine
PubChem CID131031148
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name2-fluoro-5-methoxy-1-benzothiophen-4-amine
SMILESCOc1ccc2sc(F)cc2c1N
InChIInChI=1S/C9H8FNOS/c1-12-6-2-3-7-5(9(6)11)4-8(10)13-7/h2-4H,11H2,1H3
InChIKeyFLYNKMMEMCYVSK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-benzothiophen-4-amine?
The IUPAC name of 2-fluoro-5-methoxy-1-benzothiophen-4-amine (CID 131031148) is 2-fluoro-5-methoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-benzothiophen-4-amine?
The canonical SMILES for 2-fluoro-5-methoxy-1-benzothiophen-4-amine is COc1ccc2sc(F)cc2c1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-benzothiophen-4-amine?
The InChIKey is FLYNKMMEMCYVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-6-2-3-7-5(9(6)11)4-8(10)13-7/h2-4H,11H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-1-benzothiophen-4-amine?
2-fluoro-5-methoxy-1-benzothiophen-4-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-5-methoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 131031148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).