2-chloro-4-(2-fluorophenyl)-6-nitroaniline

C12H8ClFN2O2 — CID 59280101

IUPAC2-chloro-4-(2-fluorophenyl)-6-nitroaniline
SMILESNc1c(Cl)cc(-c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-7(6-11(12(9)15)16(17)18)8-3-1-2-4-10(8)14/h1-6H,15H2
InChIKeyNXCPXUDZKYXPPD-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.64
Rot. Bonds2

About 2-chloro-4-(2-fluorophenyl)-6-nitroaniline

2-chloro-4-(2-fluorophenyl)-6-nitroaniline (PubChem CID 59280101) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenyl)-6-nitroaniline.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenyl)-6-nitroaniline
PubChem CID59280101
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name2-chloro-4-(2-fluorophenyl)-6-nitroaniline
SMILESNc1c(Cl)cc(-c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-7(6-11(12(9)15)16(17)18)8-3-1-2-4-10(8)14/h1-6H,15H2
InChIKeyNXCPXUDZKYXPPD-UHFFFAOYSA-N
XLogP3.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluorophenyl)-6-nitroaniline?
The IUPAC name of 2-chloro-4-(2-fluorophenyl)-6-nitroaniline (CID 59280101) is 2-chloro-4-(2-fluorophenyl)-6-nitroaniline.
What is the SMILES notation for 2-chloro-4-(2-fluorophenyl)-6-nitroaniline?
The canonical SMILES for 2-chloro-4-(2-fluorophenyl)-6-nitroaniline is Nc1c(Cl)cc(-c2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-(2-fluorophenyl)-6-nitroaniline?
The InChIKey is NXCPXUDZKYXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-9-5-7(6-11(12(9)15)16(17)18)8-3-1-2-4-10(8)14/h1-6H,15H2.
What are the key properties of 2-chloro-4-(2-fluorophenyl)-6-nitroaniline?
2-chloro-4-(2-fluorophenyl)-6-nitroaniline has a molecular weight of 266.66 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluorophenyl)-6-nitroaniline is sourced from PubChem (CID 59280101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).