4-(2-chloro-6-fluorophenyl)-3-fluoroaniline

C12H8ClF2N — CID 57415154

IUPAC4-(2-chloro-6-fluorophenyl)-3-fluoroaniline
SMILESNc1ccc(-c2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C12H8ClF2N/c13-9-2-1-3-10(14)12(9)8-5-4-7(16)6-11(8)15/h1-6H,16H2
InChIKeyIUUHHNDUSILMMN-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.87
Rot. Bonds1

About 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline

4-(2-chloro-6-fluorophenyl)-3-fluoroaniline (PubChem CID 57415154) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-fluoroaniline
PubChem CID57415154
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-fluoroaniline
SMILESNc1ccc(-c2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C12H8ClF2N/c13-9-2-1-3-10(14)12(9)8-5-4-7(16)6-11(8)15/h1-6H,16H2
InChIKeyIUUHHNDUSILMMN-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline (CID 57415154) is 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline is Nc1ccc(-c2c(F)cccc2Cl)c(F)c1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline?
The InChIKey is IUUHHNDUSILMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-9-2-1-3-10(14)12(9)8-5-4-7(16)6-11(8)15/h1-6H,16H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-fluoroaniline?
4-(2-chloro-6-fluorophenyl)-3-fluoroaniline 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-(2-chloro-6-fluorophenyl)-3-fluoroaniline is sourced from PubChem (CID 57415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).