5-chloro-2,4-difluoroaniline

C6H4ClF2N — CID 24820301

IUPAC5-chloro-2,4-difluoroaniline
SMILESNc1cc(Cl)c(F)cc1F
InChIInChI=1S/C6H4ClF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
InChIKeyIKDJKRZDCUNAAB-UHFFFAOYSA-N
MW163.55 g/mol
LogP2.20
Rot. Bonds

About 5-chloro-2,4-difluoroaniline

5-chloro-2,4-difluoroaniline (PubChem CID 24820301) has the molecular formula C6H4ClF2N and a molecular weight of 163.55 g/mol. Its IUPAC name is 5-chloro-2,4-difluoroaniline.

Molecular Properties

Compound Name5-chloro-2,4-difluoroaniline
PubChem CID24820301
Molecular FormulaC6H4ClF2N
Molecular Weight163.55 g/mol
Exact Mass163.00
IUPAC Name5-chloro-2,4-difluoroaniline
SMILESNc1cc(Cl)c(F)cc1F
InChIInChI=1S/C6H4ClF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
InChIKeyIKDJKRZDCUNAAB-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoroaniline?
The IUPAC name of 5-chloro-2,4-difluoroaniline (CID 24820301) is 5-chloro-2,4-difluoroaniline.
What is the SMILES notation for 5-chloro-2,4-difluoroaniline?
The canonical SMILES for 5-chloro-2,4-difluoroaniline is Nc1cc(Cl)c(F)cc1F.
What is the InChIKey of 5-chloro-2,4-difluoroaniline?
The InChIKey is IKDJKRZDCUNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2.
What are the key properties of 5-chloro-2,4-difluoroaniline?
5-chloro-2,4-difluoroaniline has a molecular weight of 163.55 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoroaniline is sourced from PubChem (CID 24820301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).