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

C10H10FNS — CID 84666250

IUPAC3-(1-fluoroethyl)-1-benzothiophen-4-amine
SMILESCC(F)c1csc2cccc(N)c12
InChIInChI=1S/C10H10FNS/c1-6(11)7-5-13-9-4-2-3-8(12)10(7)9/h2-6H,12H2,1H3
InChIKeyJTFPVWZTGXYMGV-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.51
Rot. Bonds1

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

3-(1-fluoroethyl)-1-benzothiophen-4-amine (PubChem CID 84666250) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-benzothiophen-4-amine
PubChem CID84666250
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name3-(1-fluoroethyl)-1-benzothiophen-4-amine
SMILESCC(F)c1csc2cccc(N)c12
InChIInChI=1S/C10H10FNS/c1-6(11)7-5-13-9-4-2-3-8(12)10(7)9/h2-6H,12H2,1H3
InChIKeyJTFPVWZTGXYMGV-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.51
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-(1-fluoroethyl)-1-benzothiophen-4-amine?
The IUPAC name of 3-(1-fluoroethyl)-1-benzothiophen-4-amine (CID 84666250) is 3-(1-fluoroethyl)-1-benzothiophen-4-amine.
What is the SMILES notation for 3-(1-fluoroethyl)-1-benzothiophen-4-amine?
The canonical SMILES for 3-(1-fluoroethyl)-1-benzothiophen-4-amine is CC(F)c1csc2cccc(N)c12.
What is the InChIKey of 3-(1-fluoroethyl)-1-benzothiophen-4-amine?
The InChIKey is JTFPVWZTGXYMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(11)7-5-13-9-4-2-3-8(12)10(7)9/h2-6H,12H2,1H3.
What are the key properties of 3-(1-fluoroethyl)-1-benzothiophen-4-amine?
3-(1-fluoroethyl)-1-benzothiophen-4-amine has a molecular weight of 195.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-benzothiophen-4-amine is sourced from PubChem (CID 84666250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).