5-fluoro-3-methyl-1-benzothiophen-2-amine

C9H8FNS — CID 130969194

IUPAC5-fluoro-3-methyl-1-benzothiophen-2-amine
SMILESCc1c(N)sc2ccc(F)cc12
InChIInChI=1S/C9H8FNS/c1-5-7-4-6(10)2-3-8(7)12-9(5)11/h2-4H,11H2,1H3
InChIKeyNLLRVMUSXGZWNN-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.93
Rot. Bonds

About 5-fluoro-3-methyl-1-benzothiophen-2-amine

5-fluoro-3-methyl-1-benzothiophen-2-amine (PubChem CID 130969194) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-benzothiophen-2-amine
PubChem CID130969194
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name5-fluoro-3-methyl-1-benzothiophen-2-amine
SMILESCc1c(N)sc2ccc(F)cc12
InChIInChI=1S/C9H8FNS/c1-5-7-4-6(10)2-3-8(7)12-9(5)11/h2-4H,11H2,1H3
InChIKeyNLLRVMUSXGZWNN-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-benzothiophen-2-amine?
The IUPAC name of 5-fluoro-3-methyl-1-benzothiophen-2-amine (CID 130969194) is 5-fluoro-3-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for 5-fluoro-3-methyl-1-benzothiophen-2-amine?
The canonical SMILES for 5-fluoro-3-methyl-1-benzothiophen-2-amine is Cc1c(N)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1-benzothiophen-2-amine?
The InChIKey is NLLRVMUSXGZWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-5-7-4-6(10)2-3-8(7)12-9(5)11/h2-4H,11H2,1H3.
What are the key properties of 5-fluoro-3-methyl-1-benzothiophen-2-amine?
5-fluoro-3-methyl-1-benzothiophen-2-amine has a molecular weight of 181.23 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 130969194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).