2,4-difluoro-6-phenylaniline

C12H9F2N — CID 16768770

IUPAC2,4-difluoro-6-phenylaniline
SMILESNc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C12H9F2N/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyXRQBIJMAKJGKFW-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.21
Rot. Bonds1

About 2,4-difluoro-6-phenylaniline

2,4-difluoro-6-phenylaniline (PubChem CID 16768770) has the molecular formula C12H9F2N and a molecular weight of 205.21 g/mol. Its IUPAC name is 2,4-difluoro-6-phenylaniline.

Molecular Properties

Compound Name2,4-difluoro-6-phenylaniline
PubChem CID16768770
Molecular FormulaC12H9F2N
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2,4-difluoro-6-phenylaniline
SMILESNc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C12H9F2N/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyXRQBIJMAKJGKFW-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.21
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-difluoro-6-phenylaniline?
The IUPAC name of 2,4-difluoro-6-phenylaniline (CID 16768770) is 2,4-difluoro-6-phenylaniline.
What is the SMILES notation for 2,4-difluoro-6-phenylaniline?
The canonical SMILES for 2,4-difluoro-6-phenylaniline is Nc1c(F)cc(F)cc1-c1ccccc1.
What is the InChIKey of 2,4-difluoro-6-phenylaniline?
The InChIKey is XRQBIJMAKJGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of 2,4-difluoro-6-phenylaniline?
2,4-difluoro-6-phenylaniline has a molecular weight of 205.21 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-phenylaniline is sourced from PubChem (CID 16768770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).