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

C8H9ClFN — CID 84732032

IUPAC3-chloro-5-fluoro-2,6-dimethylaniline
SMILESCc1c(F)cc(Cl)c(C)c1N
InChIInChI=1S/C8H9ClFN/c1-4-6(9)3-7(10)5(2)8(4)11/h3H,11H2,1-2H3
InChIKeyFTZMHMQAASZIDO-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.68
Rot. Bonds

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

3-chloro-5-fluoro-2,6-dimethylaniline (PubChem CID 84732032) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2,6-dimethylaniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-2,6-dimethylaniline
PubChem CID84732032
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name3-chloro-5-fluoro-2,6-dimethylaniline
SMILESCc1c(F)cc(Cl)c(C)c1N
InChIInChI=1S/C8H9ClFN/c1-4-6(9)3-7(10)5(2)8(4)11/h3H,11H2,1-2H3
InChIKeyFTZMHMQAASZIDO-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 3-chloro-5-fluoro-2,6-dimethylaniline?
The IUPAC name of 3-chloro-5-fluoro-2,6-dimethylaniline (CID 84732032) is 3-chloro-5-fluoro-2,6-dimethylaniline.
What is the SMILES notation for 3-chloro-5-fluoro-2,6-dimethylaniline?
The canonical SMILES for 3-chloro-5-fluoro-2,6-dimethylaniline is Cc1c(F)cc(Cl)c(C)c1N.
What is the InChIKey of 3-chloro-5-fluoro-2,6-dimethylaniline?
The InChIKey is FTZMHMQAASZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-4-6(9)3-7(10)5(2)8(4)11/h3H,11H2,1-2H3.
What are the key properties of 3-chloro-5-fluoro-2,6-dimethylaniline?
3-chloro-5-fluoro-2,6-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 3-chloro-5-fluoro-2,6-dimethylaniline is sourced from PubChem (CID 84732032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).