2-chloro-5-fluoro-3,6-dimethylaniline

C8H9ClFN — CID 84732031

IUPAC2-chloro-5-fluoro-3,6-dimethylaniline
SMILESCc1cc(F)c(C)c(N)c1Cl
InChIInChI=1S/C8H9ClFN/c1-4-3-6(10)5(2)8(11)7(4)9/h3H,11H2,1-2H3
InChIKeySTMMIZGSWUCLEB-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.68
Rot. Bonds

About 2-chloro-5-fluoro-3,6-dimethylaniline

2-chloro-5-fluoro-3,6-dimethylaniline (PubChem CID 84732031) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3,6-dimethylaniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-3,6-dimethylaniline
PubChem CID84732031
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name2-chloro-5-fluoro-3,6-dimethylaniline
SMILESCc1cc(F)c(C)c(N)c1Cl
InChIInChI=1S/C8H9ClFN/c1-4-3-6(10)5(2)8(11)7(4)9/h3H,11H2,1-2H3
InChIKeySTMMIZGSWUCLEB-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.68
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-chloro-5-fluoro-3,6-dimethylaniline?
The IUPAC name of 2-chloro-5-fluoro-3,6-dimethylaniline (CID 84732031) is 2-chloro-5-fluoro-3,6-dimethylaniline.
What is the SMILES notation for 2-chloro-5-fluoro-3,6-dimethylaniline?
The canonical SMILES for 2-chloro-5-fluoro-3,6-dimethylaniline is Cc1cc(F)c(C)c(N)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-3,6-dimethylaniline?
The InChIKey is STMMIZGSWUCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-4-3-6(10)5(2)8(11)7(4)9/h3H,11H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-3,6-dimethylaniline?
2-chloro-5-fluoro-3,6-dimethylaniline has a molecular weight of 173.62 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3,6-dimethylaniline is sourced from PubChem (CID 84732031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).