2-(2-chlorothiophen-3-yl)-6-fluoroaniline

C10H7ClFNS — CID 130640585

IUPAC2-(2-chlorothiophen-3-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1ccsc1Cl
InChIInChI=1S/C10H7ClFNS/c11-10-7(4-5-14-10)6-2-1-3-8(12)9(6)13/h1-5H,13H2
InChIKeyUTDPLRORNRFGGX-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.79
Rot. Bonds1

About 2-(2-chlorothiophen-3-yl)-6-fluoroaniline

2-(2-chlorothiophen-3-yl)-6-fluoroaniline (PubChem CID 130640585) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-6-fluoroaniline
PubChem CID130640585
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name2-(2-chlorothiophen-3-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1ccsc1Cl
InChIInChI=1S/C10H7ClFNS/c11-10-7(4-5-14-10)6-2-1-3-8(12)9(6)13/h1-5H,13H2
InChIKeyUTDPLRORNRFGGX-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-(2-chlorothiophen-3-yl)-6-fluoroaniline?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-6-fluoroaniline (CID 130640585) is 2-(2-chlorothiophen-3-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-6-fluoroaniline?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-6-fluoroaniline is Nc1c(F)cccc1-c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-6-fluoroaniline?
The InChIKey is UTDPLRORNRFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c11-10-7(4-5-14-10)6-2-1-3-8(12)9(6)13/h1-5H,13H2.
What are the key properties of 2-(2-chlorothiophen-3-yl)-6-fluoroaniline?
2-(2-chlorothiophen-3-yl)-6-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-(2-chlorothiophen-3-yl)-6-fluoroaniline is sourced from PubChem (CID 130640585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).