2,6-difluoro-4-(2-fluorophenyl)aniline

C12H8F3N — CID 46314357

IUPAC2,6-difluoro-4-(2-fluorophenyl)aniline
SMILESNc1c(F)cc(-c2ccccc2F)cc1F
InChIInChI=1S/C12H8F3N/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6H,16H2
InChIKeyAMFWHRCKJZGRTJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.35
Rot. Bonds1

About 2,6-difluoro-4-(2-fluorophenyl)aniline

2,6-difluoro-4-(2-fluorophenyl)aniline (PubChem CID 46314357) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-fluorophenyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-4-(2-fluorophenyl)aniline
PubChem CID46314357
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2,6-difluoro-4-(2-fluorophenyl)aniline
SMILESNc1c(F)cc(-c2ccccc2F)cc1F
InChIInChI=1S/C12H8F3N/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6H,16H2
InChIKeyAMFWHRCKJZGRTJ-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 53.35
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 2,6-difluoro-4-(2-fluorophenyl)aniline?
The IUPAC name of 2,6-difluoro-4-(2-fluorophenyl)aniline (CID 46314357) is 2,6-difluoro-4-(2-fluorophenyl)aniline.
What is the SMILES notation for 2,6-difluoro-4-(2-fluorophenyl)aniline?
The canonical SMILES for 2,6-difluoro-4-(2-fluorophenyl)aniline is Nc1c(F)cc(-c2ccccc2F)cc1F.
What is the InChIKey of 2,6-difluoro-4-(2-fluorophenyl)aniline?
The InChIKey is AMFWHRCKJZGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6H,16H2.
What are the key properties of 2,6-difluoro-4-(2-fluorophenyl)aniline?
2,6-difluoro-4-(2-fluorophenyl)aniline has a molecular weight of 223.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-fluorophenyl)aniline is sourced from PubChem (CID 46314357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).