2-chloro-4,6-difluoroaniline

C6H4ClF2N — CID 2734083

IUPAC2-chloro-4,6-difluoroaniline
SMILESNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C6H4ClF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChIKeyDUPRZIYJXCCXQZ-UHFFFAOYSA-N
MW163.55 g/mol
LogP2.20
Rot. Bonds

About 2-chloro-4,6-difluoroaniline

2-chloro-4,6-difluoroaniline (PubChem CID 2734083) has the molecular formula C6H4ClF2N and a molecular weight of 163.55 g/mol. Its IUPAC name is 2-chloro-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoroaniline
PubChem CID2734083
Molecular FormulaC6H4ClF2N
Molecular Weight163.55 g/mol
Exact Mass163.00
IUPAC Name2-chloro-4,6-difluoroaniline
SMILESNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C6H4ClF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChIKeyDUPRZIYJXCCXQZ-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.55
LogP ≤ 52.20
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 2-chloro-4,6-difluoroaniline?
The IUPAC name of 2-chloro-4,6-difluoroaniline (CID 2734083) is 2-chloro-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-4,6-difluoroaniline is Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoroaniline?
The InChIKey is DUPRZIYJXCCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2.
What are the key properties of 2-chloro-4,6-difluoroaniline?
2-chloro-4,6-difluoroaniline has a molecular weight of 163.55 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoroaniline is sourced from PubChem (CID 2734083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).