2-ethoxy-5-fluoro-1-benzothiophen-6-amine

C10H10FNOS — CID 130866458

IUPAC2-ethoxy-5-fluoro-1-benzothiophen-6-amine
SMILESCCOc1cc2cc(F)c(N)cc2s1
InChIInChI=1S/C10H10FNOS/c1-2-13-10-4-6-3-7(11)8(12)5-9(6)14-10/h3-5H,2,12H2,1H3
InChIKeyKEVDVAGNTAKGTR-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.02
Rot. Bonds2

About 2-ethoxy-5-fluoro-1-benzothiophen-6-amine

2-ethoxy-5-fluoro-1-benzothiophen-6-amine (PubChem CID 130866458) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethoxy-5-fluoro-1-benzothiophen-6-amine.

Molecular Properties

Compound Name2-ethoxy-5-fluoro-1-benzothiophen-6-amine
PubChem CID130866458
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name2-ethoxy-5-fluoro-1-benzothiophen-6-amine
SMILESCCOc1cc2cc(F)c(N)cc2s1
InChIInChI=1S/C10H10FNOS/c1-2-13-10-4-6-3-7(11)8(12)5-9(6)14-10/h3-5H,2,12H2,1H3
InChIKeyKEVDVAGNTAKGTR-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 2-ethoxy-5-fluoro-1-benzothiophen-6-amine?
The IUPAC name of 2-ethoxy-5-fluoro-1-benzothiophen-6-amine (CID 130866458) is 2-ethoxy-5-fluoro-1-benzothiophen-6-amine.
What is the SMILES notation for 2-ethoxy-5-fluoro-1-benzothiophen-6-amine?
The canonical SMILES for 2-ethoxy-5-fluoro-1-benzothiophen-6-amine is CCOc1cc2cc(F)c(N)cc2s1.
What is the InChIKey of 2-ethoxy-5-fluoro-1-benzothiophen-6-amine?
The InChIKey is KEVDVAGNTAKGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-2-13-10-4-6-3-7(11)8(12)5-9(6)14-10/h3-5H,2,12H2,1H3.
What are the key properties of 2-ethoxy-5-fluoro-1-benzothiophen-6-amine?
2-ethoxy-5-fluoro-1-benzothiophen-6-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 2-ethoxy-5-fluoro-1-benzothiophen-6-amine is sourced from PubChem (CID 130866458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).