5-(3-chlorophenyl)-2,3-difluoroaniline

C12H8ClF2N — CID 169493264

IUPAC5-(3-chlorophenyl)-2,3-difluoroaniline
SMILESNc1cc(-c2cccc(Cl)c2)cc(F)c1F
InChIInChI=1S/C12H8ClF2N/c13-9-3-1-2-7(4-9)8-5-10(14)12(15)11(16)6-8/h1-6H,16H2
InChIKeyWITGFPASFUGKIE-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.87
Rot. Bonds1

About 5-(3-chlorophenyl)-2,3-difluoroaniline

5-(3-chlorophenyl)-2,3-difluoroaniline (PubChem CID 169493264) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2,3-difluoroaniline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2,3-difluoroaniline
PubChem CID169493264
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name5-(3-chlorophenyl)-2,3-difluoroaniline
SMILESNc1cc(-c2cccc(Cl)c2)cc(F)c1F
InChIInChI=1S/C12H8ClF2N/c13-9-3-1-2-7(4-9)8-5-10(14)12(15)11(16)6-8/h1-6H,16H2
InChIKeyWITGFPASFUGKIE-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 53.87
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 5-(3-chlorophenyl)-2,3-difluoroaniline?
The IUPAC name of 5-(3-chlorophenyl)-2,3-difluoroaniline (CID 169493264) is 5-(3-chlorophenyl)-2,3-difluoroaniline.
What is the SMILES notation for 5-(3-chlorophenyl)-2,3-difluoroaniline?
The canonical SMILES for 5-(3-chlorophenyl)-2,3-difluoroaniline is Nc1cc(-c2cccc(Cl)c2)cc(F)c1F.
What is the InChIKey of 5-(3-chlorophenyl)-2,3-difluoroaniline?
The InChIKey is WITGFPASFUGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-9-3-1-2-7(4-9)8-5-10(14)12(15)11(16)6-8/h1-6H,16H2.
What are the key properties of 5-(3-chlorophenyl)-2,3-difluoroaniline?
5-(3-chlorophenyl)-2,3-difluoroaniline has a molecular weight of 239.65 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2,3-difluoroaniline is sourced from PubChem (CID 169493264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).