7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine

C11H12FNOS — CID 90061802

IUPAC7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine
SMILESCOCCNc1csc2c(F)cccc12
InChIInChI=1S/C11H12FNOS/c1-14-6-5-13-10-7-15-11-8(10)3-2-4-9(11)12/h2-4,7,13H,5-6H2,1H3
InChIKeyOOHKXMVMKZYLOQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds4

About 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine

7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine (PubChem CID 90061802) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine
PubChem CID90061802
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine
SMILESCOCCNc1csc2c(F)cccc12
InChIInChI=1S/C11H12FNOS/c1-14-6-5-13-10-7-15-11-8(10)3-2-4-9(11)12/h2-4,7,13H,5-6H2,1H3
InChIKeyOOHKXMVMKZYLOQ-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine?
The IUPAC name of 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine (CID 90061802) is 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine.
What is the SMILES notation for 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine?
The canonical SMILES for 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine is COCCNc1csc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine?
The InChIKey is OOHKXMVMKZYLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-14-6-5-13-10-7-15-11-8(10)3-2-4-9(11)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine?
7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine has a molecular weight of 225.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methoxyethyl)-1-benzothiophen-3-amine is sourced from PubChem (CID 90061802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).