2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline

C10H9ClFNOS — CID 67596260

IUPAC2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline
SMILESNc1ccccc1OC1(Cl)CC(F)=CS1
InChIInChI=1S/C10H9ClFNOS/c11-10(5-7(12)6-15-10)14-9-4-2-1-3-8(9)13/h1-4,6H,5,13H2
InChIKeyORTLBUOAIPLZDW-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.49
Rot. Bonds2

About 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline

2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline (PubChem CID 67596260) has the molecular formula C10H9ClFNOS and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline.

Molecular Properties

Compound Name2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline
PubChem CID67596260
Molecular FormulaC10H9ClFNOS
Molecular Weight245.71 g/mol
Exact Mass245.01
IUPAC Name2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline
SMILESNc1ccccc1OC1(Cl)CC(F)=CS1
InChIInChI=1S/C10H9ClFNOS/c11-10(5-7(12)6-15-10)14-9-4-2-1-3-8(9)13/h1-4,6H,5,13H2
InChIKeyORTLBUOAIPLZDW-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline?
The IUPAC name of 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline (CID 67596260) is 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline.
What is the SMILES notation for 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline?
The canonical SMILES for 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline is Nc1ccccc1OC1(Cl)CC(F)=CS1.
What is the InChIKey of 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline?
The InChIKey is ORTLBUOAIPLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNOS/c11-10(5-7(12)6-15-10)14-9-4-2-1-3-8(9)13/h1-4,6H,5,13H2.
What are the key properties of 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline?
2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline has a molecular weight of 245.71 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluoro-3H-thiophen-2-yl)oxy]aniline is sourced from PubChem (CID 67596260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).