3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline

C10H6Cl2FNS — CID 61319651

IUPAC3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C10H6Cl2FNS/c11-9-4-7(10(12)15-9)6-3-5(14)1-2-8(6)13/h1-4H,14H2
InChIKeyAXUYIDKXDKOEBK-UHFFFAOYSA-N
MW262.14 g/mol
LogP4.44
Rot. Bonds1

About 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline

3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline (PubChem CID 61319651) has the molecular formula C10H6Cl2FNS and a molecular weight of 262.14 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline
PubChem CID61319651
Molecular FormulaC10H6Cl2FNS
Molecular Weight262.14 g/mol
Exact Mass260.96
IUPAC Name3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C10H6Cl2FNS/c11-9-4-7(10(12)15-9)6-3-5(14)1-2-8(6)13/h1-4H,14H2
InChIKeyAXUYIDKXDKOEBK-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 54.44
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-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline (CID 61319651) is 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline is Nc1ccc(F)c(-c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline?
The InChIKey is AXUYIDKXDKOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNS/c11-9-4-7(10(12)15-9)6-3-5(14)1-2-8(6)13/h1-4H,14H2.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline?
3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline has a molecular weight of 262.14 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorothiophen-3-yl)-4-fluoroaniline is sourced from PubChem (CID 61319651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).