3-chloro-2-(4-fluorophenyl)aniline

C12H9ClFN — CID 158778671

IUPAC3-chloro-2-(4-fluorophenyl)aniline
SMILESNc1cccc(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C12H9ClFN/c13-10-2-1-3-11(15)12(10)8-4-6-9(14)7-5-8/h1-7H,15H2
InChIKeyIQUGSWKELDLFGZ-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.73
Rot. Bonds1

About 3-chloro-2-(4-fluorophenyl)aniline

3-chloro-2-(4-fluorophenyl)aniline (PubChem CID 158778671) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 3-chloro-2-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(4-fluorophenyl)aniline
PubChem CID158778671
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name3-chloro-2-(4-fluorophenyl)aniline
SMILESNc1cccc(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C12H9ClFN/c13-10-2-1-3-11(15)12(10)8-4-6-9(14)7-5-8/h1-7H,15H2
InChIKeyIQUGSWKELDLFGZ-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 3-chloro-2-(4-fluorophenyl)aniline?
The IUPAC name of 3-chloro-2-(4-fluorophenyl)aniline (CID 158778671) is 3-chloro-2-(4-fluorophenyl)aniline.
What is the SMILES notation for 3-chloro-2-(4-fluorophenyl)aniline?
The canonical SMILES for 3-chloro-2-(4-fluorophenyl)aniline is Nc1cccc(Cl)c1-c1ccc(F)cc1.
What is the InChIKey of 3-chloro-2-(4-fluorophenyl)aniline?
The InChIKey is IQUGSWKELDLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-10-2-1-3-11(15)12(10)8-4-6-9(14)7-5-8/h1-7H,15H2.
What are the key properties of 3-chloro-2-(4-fluorophenyl)aniline?
3-chloro-2-(4-fluorophenyl)aniline 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 3-chloro-2-(4-fluorophenyl)aniline is sourced from PubChem (CID 158778671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).