4-(4-chlorophenyl)-2,6-difluoroaniline

C12H8ClF2N — CID 123806482

IUPAC4-(4-chlorophenyl)-2,6-difluoroaniline
SMILESNc1c(F)cc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C12H8ClF2N/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H,16H2
InChIKeyWVTQPFKMMORKQM-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.87
Rot. Bonds1

About 4-(4-chlorophenyl)-2,6-difluoroaniline

4-(4-chlorophenyl)-2,6-difluoroaniline (PubChem CID 123806482) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-difluoroaniline
PubChem CID123806482
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name4-(4-chlorophenyl)-2,6-difluoroaniline
SMILESNc1c(F)cc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C12H8ClF2N/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H,16H2
InChIKeyWVTQPFKMMORKQM-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'}

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Related Compounds

1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
5-[4-(4-chlorophenyl)phenyl]-1,3-difluoro-2-isothiocyanatobenzene
CID 18521125
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
2-(4-chlorophenyl)-6-fluoroaniline
CID 107602778
2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
CID 171921721
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
2,6-difluoro-4-(2-fluorophenyl)aniline
CID 46314357
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline
CID 175068481
2-bromo-6-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
CID 68834288
2,6-difluoro-4-(1H-indol-6-yl)aniline
CID 19803477

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-difluoroaniline?
The IUPAC name of 4-(4-chlorophenyl)-2,6-difluoroaniline (CID 123806482) is 4-(4-chlorophenyl)-2,6-difluoroaniline.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-difluoroaniline?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-difluoroaniline is Nc1c(F)cc(-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-difluoroaniline?
The InChIKey is WVTQPFKMMORKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H,16H2.
What are the key properties of 4-(4-chlorophenyl)-2,6-difluoroaniline?
4-(4-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 4-(4-chlorophenyl)-2,6-difluoroaniline is sourced from PubChem (CID 123806482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).