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

C10H10FNOS — CID 130878435

IUPAC7-ethoxy-3-fluoro-1-benzothiophen-4-amine
SMILESCCOc1ccc(N)c2c(F)csc12
InChIInChI=1S/C10H10FNOS/c1-2-13-8-4-3-7(12)9-6(11)5-14-10(8)9/h3-5H,2,12H2,1H3
InChIKeyXUMILBSYIQXKKD-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.02
Rot. Bonds2

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

7-ethoxy-3-fluoro-1-benzothiophen-4-amine (PubChem CID 130878435) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-ethoxy-3-fluoro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name7-ethoxy-3-fluoro-1-benzothiophen-4-amine
PubChem CID130878435
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name7-ethoxy-3-fluoro-1-benzothiophen-4-amine
SMILESCCOc1ccc(N)c2c(F)csc12
InChIInChI=1S/C10H10FNOS/c1-2-13-8-4-3-7(12)9-6(11)5-14-10(8)9/h3-5H,2,12H2,1H3
InChIKeyXUMILBSYIQXKKD-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 7-ethoxy-3-fluoro-1-benzothiophen-4-amine?
The IUPAC name of 7-ethoxy-3-fluoro-1-benzothiophen-4-amine (CID 130878435) is 7-ethoxy-3-fluoro-1-benzothiophen-4-amine.
What is the SMILES notation for 7-ethoxy-3-fluoro-1-benzothiophen-4-amine?
The canonical SMILES for 7-ethoxy-3-fluoro-1-benzothiophen-4-amine is CCOc1ccc(N)c2c(F)csc12.
What is the InChIKey of 7-ethoxy-3-fluoro-1-benzothiophen-4-amine?
The InChIKey is XUMILBSYIQXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-2-13-8-4-3-7(12)9-6(11)5-14-10(8)9/h3-5H,2,12H2,1H3.
What are the key properties of 7-ethoxy-3-fluoro-1-benzothiophen-4-amine?
7-ethoxy-3-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 7-ethoxy-3-fluoro-1-benzothiophen-4-amine is sourced from PubChem (CID 130878435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).