3-ethoxy-5-fluoro-1-benzothiophen-4-amine

C10H10FNOS — CID 130866457

IUPAC3-ethoxy-5-fluoro-1-benzothiophen-4-amine
SMILESCCOc1csc2ccc(F)c(N)c12
InChIInChI=1S/C10H10FNOS/c1-2-13-7-5-14-8-4-3-6(11)10(12)9(7)8/h3-5H,2,12H2,1H3
InChIKeyQMVFKTVPXWWSCK-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.02
Rot. Bonds2

About 3-ethoxy-5-fluoro-1-benzothiophen-4-amine

3-ethoxy-5-fluoro-1-benzothiophen-4-amine (PubChem CID 130866457) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-ethoxy-5-fluoro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-ethoxy-5-fluoro-1-benzothiophen-4-amine
PubChem CID130866457
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name3-ethoxy-5-fluoro-1-benzothiophen-4-amine
SMILESCCOc1csc2ccc(F)c(N)c12
InChIInChI=1S/C10H10FNOS/c1-2-13-7-5-14-8-4-3-6(11)10(12)9(7)8/h3-5H,2,12H2,1H3
InChIKeyQMVFKTVPXWWSCK-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.02
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 3-ethoxy-5-fluoro-1-benzothiophen-4-amine?
The IUPAC name of 3-ethoxy-5-fluoro-1-benzothiophen-4-amine (CID 130866457) is 3-ethoxy-5-fluoro-1-benzothiophen-4-amine.
What is the SMILES notation for 3-ethoxy-5-fluoro-1-benzothiophen-4-amine?
The canonical SMILES for 3-ethoxy-5-fluoro-1-benzothiophen-4-amine is CCOc1csc2ccc(F)c(N)c12.
What is the InChIKey of 3-ethoxy-5-fluoro-1-benzothiophen-4-amine?
The InChIKey is QMVFKTVPXWWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-2-13-7-5-14-8-4-3-6(11)10(12)9(7)8/h3-5H,2,12H2,1H3.
What are the key properties of 3-ethoxy-5-fluoro-1-benzothiophen-4-amine?
3-ethoxy-5-fluoro-1-benzothiophen-4-amine has a molecular weight of 211.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-fluoro-1-benzothiophen-4-amine is sourced from PubChem (CID 130866457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).