2-(4-chlorophenyl)-6-fluoroaniline

C12H9ClFN — CID 107602778

IUPAC2-(4-chlorophenyl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFN/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H,15H2
InChIKeyYNSNMCQWFSNLNR-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.73
Rot. Bonds1

About 2-(4-chlorophenyl)-6-fluoroaniline

2-(4-chlorophenyl)-6-fluoroaniline (PubChem CID 107602778) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-fluoroaniline
PubChem CID107602778
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-(4-chlorophenyl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFN/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H,15H2
InChIKeyYNSNMCQWFSNLNR-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-chlorophenyl)-6-fluoroaniline?
The IUPAC name of 2-(4-chlorophenyl)-6-fluoroaniline (CID 107602778) is 2-(4-chlorophenyl)-6-fluoroaniline.
What is the SMILES notation for 2-(4-chlorophenyl)-6-fluoroaniline?
The canonical SMILES for 2-(4-chlorophenyl)-6-fluoroaniline is Nc1c(F)cccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-fluoroaniline?
The InChIKey is YNSNMCQWFSNLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H,15H2.
What are the key properties of 2-(4-chlorophenyl)-6-fluoroaniline?
2-(4-chlorophenyl)-6-fluoroaniline has a molecular weight of 221.66 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-fluoroaniline is sourced from PubChem (CID 107602778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).