2-chloro-6-fluoro-N-propan-2-ylaniline

C9H11ClFN — CID 58799024

IUPAC2-chloro-6-fluoro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyUKXHJPFPCVYBFE-UHFFFAOYSA-N
MW187.65 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-6-fluoro-N-propan-2-ylaniline

2-chloro-6-fluoro-N-propan-2-ylaniline (PubChem CID 58799024) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-propan-2-ylaniline
PubChem CID58799024
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-chloro-6-fluoro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyUKXHJPFPCVYBFE-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-6-fluoro-N-propan-2-ylaniline 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-chloro-6-fluoro-N-propan-2-ylaniline?
The IUPAC name of 2-chloro-6-fluoro-N-propan-2-ylaniline (CID 58799024) is 2-chloro-6-fluoro-N-propan-2-ylaniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-propan-2-ylaniline?
The canonical SMILES for 2-chloro-6-fluoro-N-propan-2-ylaniline is CC(C)Nc1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-propan-2-ylaniline?
The InChIKey is UKXHJPFPCVYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3.
What are the key properties of 2-chloro-6-fluoro-N-propan-2-ylaniline?
2-chloro-6-fluoro-N-propan-2-ylaniline has a molecular weight of 187.65 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-propan-2-ylaniline is sourced from PubChem (CID 58799024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).