6-ethoxy-2-fluoro-1-benzothiophen-4-amine

C10H10FNOS — CID 130839716

IUPAC6-ethoxy-2-fluoro-1-benzothiophen-4-amine
SMILESCCOc1cc(N)c2cc(F)sc2c1
InChIInChI=1S/C10H10FNOS/c1-2-13-6-3-8(12)7-5-10(11)14-9(7)4-6/h3-5H,2,12H2,1H3
InChIKeyYZNLAQPKKUPAHI-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.02
Rot. Bonds2

About 6-ethoxy-2-fluoro-1-benzothiophen-4-amine

6-ethoxy-2-fluoro-1-benzothiophen-4-amine (PubChem CID 130839716) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-ethoxy-2-fluoro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-fluoro-1-benzothiophen-4-amine
PubChem CID130839716
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name6-ethoxy-2-fluoro-1-benzothiophen-4-amine
SMILESCCOc1cc(N)c2cc(F)sc2c1
InChIInChI=1S/C10H10FNOS/c1-2-13-6-3-8(12)7-5-10(11)14-9(7)4-6/h3-5H,2,12H2,1H3
InChIKeyYZNLAQPKKUPAHI-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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Related Compounds

4-[6-(2-Fluoroethoxy)-1-benzothiophen-2-yl]aniline
CID 46946967
4-[6-(3-Fluoropropoxy)-1-benzothiophen-2-yl]aniline
CID 46947161
2-(4-Fluorophenyl)-6-phenylmethoxy-1-benzothiophen-3-amine
CID 60075248
3-Fluoro-5-[(6-propyl-1-benzothiophen-2-yl)methoxy]-2-(trifluoromethyl)aniline
CID 134408745
4-[1-(1-Benzothiophen-6-yloxy)-3-fluoropropyl]aniline
CID 140174788
2-Fluoro-4-(6-octoxy-1-benzothiophen-2-yl)aniline
CID 156037600
3-[(2-Fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170886
3-[(3-Fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170908
3-[(4-Fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170930
2-[(2-Fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117172826
2-[(3-Fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117172853
2-[(4-Fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117172880

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-fluoro-1-benzothiophen-4-amine?
The IUPAC name of 6-ethoxy-2-fluoro-1-benzothiophen-4-amine (CID 130839716) is 6-ethoxy-2-fluoro-1-benzothiophen-4-amine.
What is the SMILES notation for 6-ethoxy-2-fluoro-1-benzothiophen-4-amine?
The canonical SMILES for 6-ethoxy-2-fluoro-1-benzothiophen-4-amine is CCOc1cc(N)c2cc(F)sc2c1.
What is the InChIKey of 6-ethoxy-2-fluoro-1-benzothiophen-4-amine?
The InChIKey is YZNLAQPKKUPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-2-13-6-3-8(12)7-5-10(11)14-9(7)4-6/h3-5H,2,12H2,1H3.
What are the key properties of 6-ethoxy-2-fluoro-1-benzothiophen-4-amine?
6-ethoxy-2-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 6-ethoxy-2-fluoro-1-benzothiophen-4-amine is sourced from PubChem (CID 130839716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).