3-(3-chlorophenyl)-2,6-difluoroaniline

C12H8ClF2N — CID 165455763

IUPAC3-(3-chlorophenyl)-2,6-difluoroaniline
SMILESNc1c(F)ccc(-c2cccc(Cl)c2)c1F
InChIInChI=1S/C12H8ClF2N/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H,16H2
InChIKeyKLKSUNYXBCVLMX-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.87
Rot. Bonds1

About 3-(3-chlorophenyl)-2,6-difluoroaniline

3-(3-chlorophenyl)-2,6-difluoroaniline (PubChem CID 165455763) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,6-difluoroaniline
PubChem CID165455763
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name3-(3-chlorophenyl)-2,6-difluoroaniline
SMILESNc1c(F)ccc(-c2cccc(Cl)c2)c1F
InChIInChI=1S/C12H8ClF2N/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H,16H2
InChIKeyKLKSUNYXBCVLMX-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-chlorophenyl)-2,6-difluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

2,6-difluoro-3-phenylaniline
CID 68725950
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
5-(3-chlorophenyl)-2,3-difluoroaniline
CID 169493264
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
3-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
2,6-difluoro-3-pyridin-4-ylaniline
CID 165453925
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
CID 142278551
2-(3-chlorophenyl)-4-iodoaniline
CID 54098083

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,6-difluoroaniline?
The IUPAC name of 3-(3-chlorophenyl)-2,6-difluoroaniline (CID 165455763) is 3-(3-chlorophenyl)-2,6-difluoroaniline.
What is the SMILES notation for 3-(3-chlorophenyl)-2,6-difluoroaniline?
The canonical SMILES for 3-(3-chlorophenyl)-2,6-difluoroaniline is Nc1c(F)ccc(-c2cccc(Cl)c2)c1F.
What is the InChIKey of 3-(3-chlorophenyl)-2,6-difluoroaniline?
The InChIKey is KLKSUNYXBCVLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H,16H2.
What are the key properties of 3-(3-chlorophenyl)-2,6-difluoroaniline?
3-(3-chlorophenyl)-2,6-difluoroaniline has a molecular weight of 239.65 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,6-difluoroaniline is sourced from PubChem (CID 165455763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).