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

C12H8Cl2FN — CID 115504348

IUPAC4-chloro-2-(3-chloro-4-fluorophenyl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8Cl2FN/c13-8-2-4-12(16)9(6-8)7-1-3-11(15)10(14)5-7/h1-6H,16H2
InChIKeyMPNDRGQLIMPGDN-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.38
Rot. Bonds1

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

4-chloro-2-(3-chloro-4-fluorophenyl)aniline (PubChem CID 115504348) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-fluorophenyl)aniline
PubChem CID115504348
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name4-chloro-2-(3-chloro-4-fluorophenyl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8Cl2FN/c13-8-2-4-12(16)9(6-8)7-1-3-11(15)10(14)5-7/h1-6H,16H2
InChIKeyMPNDRGQLIMPGDN-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)aniline?
The IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)aniline (CID 115504348) is 4-chloro-2-(3-chloro-4-fluorophenyl)aniline.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-fluorophenyl)aniline?
The canonical SMILES for 4-chloro-2-(3-chloro-4-fluorophenyl)aniline is Nc1ccc(Cl)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(3-chloro-4-fluorophenyl)aniline?
The InChIKey is MPNDRGQLIMPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-8-2-4-12(16)9(6-8)7-1-3-11(15)10(14)5-7/h1-6H,16H2.
What are the key properties of 4-chloro-2-(3-chloro-4-fluorophenyl)aniline?
4-chloro-2-(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 4-chloro-2-(3-chloro-4-fluorophenyl)aniline is sourced from PubChem (CID 115504348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).