4-fluoro-1-benzothiophen-3-amine

C8H6FNS — CID 10654635

IUPAC4-fluoro-1-benzothiophen-3-amine
SMILESNc1csc2cccc(F)c12
InChIInChI=1S/C8H6FNS/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4H,10H2
InChIKeyCPETVBNAYOZWRP-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.62
Rot. Bonds

About 4-fluoro-1-benzothiophen-3-amine

4-fluoro-1-benzothiophen-3-amine (PubChem CID 10654635) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-fluoro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name4-fluoro-1-benzothiophen-3-amine
PubChem CID10654635
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name4-fluoro-1-benzothiophen-3-amine
SMILESNc1csc2cccc(F)c12
InChIInChI=1S/C8H6FNS/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4H,10H2
InChIKeyCPETVBNAYOZWRP-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-benzothiophen-3-amine?
The IUPAC name of 4-fluoro-1-benzothiophen-3-amine (CID 10654635) is 4-fluoro-1-benzothiophen-3-amine.
What is the SMILES notation for 4-fluoro-1-benzothiophen-3-amine?
The canonical SMILES for 4-fluoro-1-benzothiophen-3-amine is Nc1csc2cccc(F)c12.
What is the InChIKey of 4-fluoro-1-benzothiophen-3-amine?
The InChIKey is CPETVBNAYOZWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4H,10H2.
What are the key properties of 4-fluoro-1-benzothiophen-3-amine?
4-fluoro-1-benzothiophen-3-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 4-fluoro-1-benzothiophen-3-amine is sourced from PubChem (CID 10654635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).