2-chloro-4-(3-chloro-4-fluorophenyl)aniline

C12H8Cl2FN — CID 107607731

IUPAC2-chloro-4-(3-chloro-4-fluorophenyl)aniline
SMILESNc1ccc(-c2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H8Cl2FN/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,16H2
InChIKeyXOBXNGJCCJOPEH-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.38
Rot. Bonds1

About 2-chloro-4-(3-chloro-4-fluorophenyl)aniline

2-chloro-4-(3-chloro-4-fluorophenyl)aniline (PubChem CID 107607731) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenyl)aniline
PubChem CID107607731
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenyl)aniline
SMILESNc1ccc(-c2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H8Cl2FN/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,16H2
InChIKeyXOBXNGJCCJOPEH-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 54.38
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

4-chloro-2-(3-chloro-4-fluorophenyl)aniline
CID 115504348
2-chloro-4-(3-chloro-5-fluorophenyl)aniline
CID 107607732
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415
2,4-dichloroaniline;molecular nitrogen
CID 69010854
2-chloro-4-[4-(chloroamino)phenyl]aniline
CID 54119769
2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
CID 171921721
5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine
CID 91354372
4-benzyl-2-(3-chloro-4-fluorophenyl)aniline
CID 19381138
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)aniline?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)aniline (CID 107607731) is 2-chloro-4-(3-chloro-4-fluorophenyl)aniline.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenyl)aniline?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenyl)aniline is Nc1ccc(-c2ccc(F)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenyl)aniline?
The InChIKey is XOBXNGJCCJOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,16H2.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenyl)aniline?
2-chloro-4-(3-chloro-4-fluorophenyl)aniline has a molecular weight of 256.11 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-fluorophenyl)aniline is sourced from PubChem (CID 107607731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).