3-(fluoromethyl)-1-benzothiophen-4-amine

C9H8FNS — CID 84657963

IUPAC3-(fluoromethyl)-1-benzothiophen-4-amine
SMILESNc1cccc2scc(CF)c12
InChIInChI=1S/C9H8FNS/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h1-3,5H,4,11H2
InChIKeyQOJFRORDQFKXNI-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.95
Rot. Bonds1

About 3-(fluoromethyl)-1-benzothiophen-4-amine

3-(fluoromethyl)-1-benzothiophen-4-amine (PubChem CID 84657963) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-benzothiophen-4-amine
PubChem CID84657963
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name3-(fluoromethyl)-1-benzothiophen-4-amine
SMILESNc1cccc2scc(CF)c12
InChIInChI=1S/C9H8FNS/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h1-3,5H,4,11H2
InChIKeyQOJFRORDQFKXNI-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.95
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 3-(fluoromethyl)-1-benzothiophen-4-amine?
The IUPAC name of 3-(fluoromethyl)-1-benzothiophen-4-amine (CID 84657963) is 3-(fluoromethyl)-1-benzothiophen-4-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-benzothiophen-4-amine?
The canonical SMILES for 3-(fluoromethyl)-1-benzothiophen-4-amine is Nc1cccc2scc(CF)c12.
What is the InChIKey of 3-(fluoromethyl)-1-benzothiophen-4-amine?
The InChIKey is QOJFRORDQFKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h1-3,5H,4,11H2.
What are the key properties of 3-(fluoromethyl)-1-benzothiophen-4-amine?
3-(fluoromethyl)-1-benzothiophen-4-amine has a molecular weight of 181.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-benzothiophen-4-amine is sourced from PubChem (CID 84657963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).