5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

C11H12FNOS — CID 10775569

IUPAC5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1cc2sc(N(C)C)cc2cc1F
InChIInChI=1S/C11H12FNOS/c1-13(2)11-5-7-4-8(12)9(14-3)6-10(7)15-11/h4-6H,1-3H3
InChIKeyFSQRQNGZWGKHSQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds2

About 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine

5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (PubChem CID 10775569) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
PubChem CID10775569
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1cc2sc(N(C)C)cc2cc1F
InChIInChI=1S/C11H12FNOS/c1-13(2)11-5-7-4-8(12)9(14-3)6-10(7)15-11/h4-6H,1-3H3
InChIKeyFSQRQNGZWGKHSQ-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine (CID 10775569) is 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is COc1cc2sc(N(C)C)cc2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The InChIKey is FSQRQNGZWGKHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-13(2)11-5-7-4-8(12)9(14-3)6-10(7)15-11/h4-6H,1-3H3.
What are the key properties of 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine?
5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine has a molecular weight of 225.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 10775569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).