2-(5-chlorothiophen-2-yl)-5-fluoroaniline

C10H7ClFNS — CID 61318010

IUPAC2-(5-chlorothiophen-2-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1-c1ccc(Cl)s1
InChIInChI=1S/C10H7ClFNS/c11-10-4-3-9(14-10)7-2-1-6(12)5-8(7)13/h1-5H,13H2
InChIKeyQPKIEIJKNSGPES-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.79
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-5-fluoroaniline

2-(5-chlorothiophen-2-yl)-5-fluoroaniline (PubChem CID 61318010) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-fluoroaniline
PubChem CID61318010
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name2-(5-chlorothiophen-2-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1-c1ccc(Cl)s1
InChIInChI=1S/C10H7ClFNS/c11-10-4-3-9(14-10)7-2-1-6(12)5-8(7)13/h1-5H,13H2
InChIKeyQPKIEIJKNSGPES-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.79
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 2-(5-chlorothiophen-2-yl)-5-fluoroaniline?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-fluoroaniline (CID 61318010) is 2-(5-chlorothiophen-2-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-fluoroaniline?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-fluoroaniline is Nc1cc(F)ccc1-c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-fluoroaniline?
The InChIKey is QPKIEIJKNSGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c11-10-4-3-9(14-10)7-2-1-6(12)5-8(7)13/h1-5H,13H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-fluoroaniline?
2-(5-chlorothiophen-2-yl)-5-fluoroaniline has a molecular weight of 227.69 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-fluoroaniline is sourced from PubChem (CID 61318010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).