2,4-difluoroaniline

C6H5F2N — CID 9709

IUPAC2,4-difluoroaniline
SMILESNc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKeyCEPCPXLLFXPZGW-UHFFFAOYSA-N
MW129.11 g/mol
LogP1.55
Rot. Bonds

About 2,4-difluoroaniline

2,4-difluoroaniline (PubChem CID 9709) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is 2,4-difluoroaniline.

Molecular Properties

Compound Name2,4-difluoroaniline
PubChem CID9709
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name2,4-difluoroaniline
SMILESNc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKeyCEPCPXLLFXPZGW-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 51.55
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-difluoroaniline?
The IUPAC name of 2,4-difluoroaniline (CID 9709) is 2,4-difluoroaniline.
What is the SMILES notation for 2,4-difluoroaniline?
The canonical SMILES for 2,4-difluoroaniline is Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoroaniline?
The InChIKey is CEPCPXLLFXPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2.
What are the key properties of 2,4-difluoroaniline?
2,4-difluoroaniline has a molecular weight of 129.11 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroaniline is sourced from PubChem (CID 9709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).