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

C9H8FNOS — CID 130866136

IUPAC4-fluoro-7-methoxy-1-benzothiophen-3-amine
SMILESCOc1ccc(F)c2c(N)csc12
InChIInChI=1S/C9H8FNOS/c1-12-7-3-2-5(10)8-6(11)4-13-9(7)8/h2-4H,11H2,1H3
InChIKeyVMEAOPVKWQKHHB-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 4-fluoro-7-methoxy-1-benzothiophen-3-amine

4-fluoro-7-methoxy-1-benzothiophen-3-amine (PubChem CID 130866136) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-1-benzothiophen-3-amine.

Molecular Properties

Compound Name4-fluoro-7-methoxy-1-benzothiophen-3-amine
PubChem CID130866136
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name4-fluoro-7-methoxy-1-benzothiophen-3-amine
SMILESCOc1ccc(F)c2c(N)csc12
InChIInChI=1S/C9H8FNOS/c1-12-7-3-2-5(10)8-6(11)4-13-9(7)8/h2-4H,11H2,1H3
InChIKeyVMEAOPVKWQKHHB-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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Related Compounds

3-fluoro-7-methoxy-4-methyl-1-benzothiophene
CID 130883958
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
7-iodo-3-methoxy-1-benzothiophen-4-amine
CID 130788770
3-fluoro-6-methoxy-1-benzothiophen-7-ol
CID 131196384
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
4-chloro-5-fluoro-8-methoxyquinolin-3-amine
CID 157041127
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
4-hydroxy-7-methoxy-1-benzothiophene-3-carbonitrile
CID 130805967

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-1-benzothiophen-3-amine?
The IUPAC name of 4-fluoro-7-methoxy-1-benzothiophen-3-amine (CID 130866136) is 4-fluoro-7-methoxy-1-benzothiophen-3-amine.
What is the SMILES notation for 4-fluoro-7-methoxy-1-benzothiophen-3-amine?
The canonical SMILES for 4-fluoro-7-methoxy-1-benzothiophen-3-amine is COc1ccc(F)c2c(N)csc12.
What is the InChIKey of 4-fluoro-7-methoxy-1-benzothiophen-3-amine?
The InChIKey is VMEAOPVKWQKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-7-3-2-5(10)8-6(11)4-13-9(7)8/h2-4H,11H2,1H3.
What are the key properties of 4-fluoro-7-methoxy-1-benzothiophen-3-amine?
4-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 4-fluoro-7-methoxy-1-benzothiophen-3-amine is sourced from PubChem (CID 130866136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).