2,4-difluoroaniline;hydrofluoride

C6H6F3N — CID 170944018

IUPAC2,4-difluoroaniline;hydrofluoride
SMILESF.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N.FH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H
InChIKeyTXYVUCQAJWEICK-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.70
Rot. Bonds

About 2,4-difluoroaniline;hydrofluoride

2,4-difluoroaniline;hydrofluoride (PubChem CID 170944018) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 2,4-difluoroaniline;hydrofluoride.

Molecular Properties

Compound Name2,4-difluoroaniline;hydrofluoride
PubChem CID170944018
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name2,4-difluoroaniline;hydrofluoride
SMILESF.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N.FH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H
InChIKeyTXYVUCQAJWEICK-UHFFFAOYSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroaniline;hydrofluoride?
The IUPAC name of 2,4-difluoroaniline;hydrofluoride (CID 170944018) is 2,4-difluoroaniline;hydrofluoride.
What is the SMILES notation for 2,4-difluoroaniline;hydrofluoride?
The canonical SMILES for 2,4-difluoroaniline;hydrofluoride is F.Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoroaniline;hydrofluoride?
The InChIKey is TXYVUCQAJWEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N.FH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H.
What are the key properties of 2,4-difluoroaniline;hydrofluoride?
2,4-difluoroaniline;hydrofluoride has a molecular weight of 149.11 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroaniline;hydrofluoride is sourced from PubChem (CID 170944018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).