2,5-dichloro-6-ethyl-3,4-difluoroaniline

C8H7Cl2F2N — CID 167081785

IUPAC2,5-dichloro-6-ethyl-3,4-difluoroaniline
SMILESCCc1c(N)c(Cl)c(F)c(F)c1Cl
InChIInChI=1S/C8H7Cl2F2N/c1-2-3-4(9)6(11)7(12)5(10)8(3)13/h2,13H2,1H3
InChIKeyFANLUVFBZQZVEQ-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.42
Rot. Bonds1

About 2,5-dichloro-6-ethyl-3,4-difluoroaniline

2,5-dichloro-6-ethyl-3,4-difluoroaniline (PubChem CID 167081785) has the molecular formula C8H7Cl2F2N and a molecular weight of 226.05 g/mol. Its IUPAC name is 2,5-dichloro-6-ethyl-3,4-difluoroaniline.

Molecular Properties

Compound Name2,5-dichloro-6-ethyl-3,4-difluoroaniline
PubChem CID167081785
Molecular FormulaC8H7Cl2F2N
Molecular Weight226.05 g/mol
Exact Mass224.99
IUPAC Name2,5-dichloro-6-ethyl-3,4-difluoroaniline
SMILESCCc1c(N)c(Cl)c(F)c(F)c1Cl
InChIInChI=1S/C8H7Cl2F2N/c1-2-3-4(9)6(11)7(12)5(10)8(3)13/h2,13H2,1H3
InChIKeyFANLUVFBZQZVEQ-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.42
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'}

Analyze 2,5-dichloro-6-ethyl-3,4-difluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-ethyl-3,4-difluoroaniline?
The IUPAC name of 2,5-dichloro-6-ethyl-3,4-difluoroaniline (CID 167081785) is 2,5-dichloro-6-ethyl-3,4-difluoroaniline.
What is the SMILES notation for 2,5-dichloro-6-ethyl-3,4-difluoroaniline?
The canonical SMILES for 2,5-dichloro-6-ethyl-3,4-difluoroaniline is CCc1c(N)c(Cl)c(F)c(F)c1Cl.
What is the InChIKey of 2,5-dichloro-6-ethyl-3,4-difluoroaniline?
The InChIKey is FANLUVFBZQZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2N/c1-2-3-4(9)6(11)7(12)5(10)8(3)13/h2,13H2,1H3.
What are the key properties of 2,5-dichloro-6-ethyl-3,4-difluoroaniline?
2,5-dichloro-6-ethyl-3,4-difluoroaniline has a molecular weight of 226.05 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-ethyl-3,4-difluoroaniline is sourced from PubChem (CID 167081785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).