3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine

C11H9FN2S — CID 70071907

IUPAC3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine
SMILESNc1sccc1/C=N/c1ccccc1F
InChIInChI=1S/C11H9FN2S/c12-9-3-1-2-4-10(9)14-7-8-5-6-15-11(8)13/h1-7H,13H2/b14-7+
InChIKeyKTHRIIHBSUBYOB-VGOFMYFVSA-N
MW220.27 g/mol
LogP3.22
Rot. Bonds2

About 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine

3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine (PubChem CID 70071907) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine
PubChem CID70071907
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine
SMILESNc1sccc1/C=N/c1ccccc1F
InChIInChI=1S/C11H9FN2S/c12-9-3-1-2-4-10(9)14-7-8-5-6-15-11(8)13/h1-7H,13H2/b14-7+
InChIKeyKTHRIIHBSUBYOB-VGOFMYFVSA-N
XLogP3.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine?
The IUPAC name of 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine (CID 70071907) is 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine?
The canonical SMILES for 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine is Nc1sccc1/C=N/c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine?
The InChIKey is KTHRIIHBSUBYOB-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H9FN2S/c12-9-3-1-2-4-10(9)14-7-8-5-6-15-11(8)13/h1-7H,13H2/b14-7+.
What are the key properties of 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine?
3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine has a molecular weight of 220.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)iminomethyl]thiophen-2-amine is sourced from PubChem (CID 70071907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).