6-fluoro-1-benzothiophen-5-amine

C8H6FNS — CID 82373127

IUPAC6-fluoro-1-benzothiophen-5-amine
SMILESNc1cc2ccsc2cc1F
InChIInChI=1S/C8H6FNS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H,10H2
InChIKeyAOBIFEZPNCDPPE-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.62
Rot. Bonds

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

6-fluoro-1-benzothiophen-5-amine (PubChem CID 82373127) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-fluoro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name6-fluoro-1-benzothiophen-5-amine
PubChem CID82373127
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name6-fluoro-1-benzothiophen-5-amine
SMILESNc1cc2ccsc2cc1F
InChIInChI=1S/C8H6FNS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H,10H2
InChIKeyAOBIFEZPNCDPPE-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-benzothiophen-5-amine?
The IUPAC name of 6-fluoro-1-benzothiophen-5-amine (CID 82373127) is 6-fluoro-1-benzothiophen-5-amine.
What is the SMILES notation for 6-fluoro-1-benzothiophen-5-amine?
The canonical SMILES for 6-fluoro-1-benzothiophen-5-amine is Nc1cc2ccsc2cc1F.
What is the InChIKey of 6-fluoro-1-benzothiophen-5-amine?
The InChIKey is AOBIFEZPNCDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H,10H2.
What are the key properties of 6-fluoro-1-benzothiophen-5-amine?
6-fluoro-1-benzothiophen-5-amine has a molecular weight of 167.21 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-benzothiophen-5-amine is sourced from PubChem (CID 82373127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).