3,5-dichloro-2,4-difluoroaniline

C6H3Cl2F2N — CID 2774000

IUPAC3,5-dichloro-2,4-difluoroaniline
SMILESNc1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2
InChIKeyKLECNQGLBJHVSH-UHFFFAOYSA-N
MW198.00 g/mol
LogP2.85
Rot. Bonds

About 3,5-dichloro-2,4-difluoroaniline

3,5-dichloro-2,4-difluoroaniline (PubChem CID 2774000) has the molecular formula C6H3Cl2F2N and a molecular weight of 198.00 g/mol. Its IUPAC name is 3,5-dichloro-2,4-difluoroaniline.

Molecular Properties

Compound Name3,5-dichloro-2,4-difluoroaniline
PubChem CID2774000
Molecular FormulaC6H3Cl2F2N
Molecular Weight198.00 g/mol
Exact Mass196.96
IUPAC Name3,5-dichloro-2,4-difluoroaniline
SMILESNc1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2
InChIKeyKLECNQGLBJHVSH-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 52.85
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4-difluoroaniline?
The IUPAC name of 3,5-dichloro-2,4-difluoroaniline (CID 2774000) is 3,5-dichloro-2,4-difluoroaniline.
What is the SMILES notation for 3,5-dichloro-2,4-difluoroaniline?
The canonical SMILES for 3,5-dichloro-2,4-difluoroaniline is Nc1cc(Cl)c(F)c(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2,4-difluoroaniline?
The InChIKey is KLECNQGLBJHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2.
What are the key properties of 3,5-dichloro-2,4-difluoroaniline?
3,5-dichloro-2,4-difluoroaniline has a molecular weight of 198.00 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4-difluoroaniline is sourced from PubChem (CID 2774000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).