4-(2,4-difluorophenyl)-2-nitroaniline

C12H8F2N2O2 — CID 175739959

IUPAC4-(2,4-difluorophenyl)-2-nitroaniline
SMILESNc1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8F2N2O2/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(5-7)16(17)18/h1-6H,15H2
InChIKeyIUETVBUITWUJRC-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.12
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-nitroaniline

4-(2,4-difluorophenyl)-2-nitroaniline (PubChem CID 175739959) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-nitroaniline.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-nitroaniline
PubChem CID175739959
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name4-(2,4-difluorophenyl)-2-nitroaniline
SMILESNc1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8F2N2O2/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(5-7)16(17)18/h1-6H,15H2
InChIKeyIUETVBUITWUJRC-UHFFFAOYSA-N
XLogP3.12
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.12
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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Related Compounds

4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
CID 22224911
4-(4-chlorophenyl)-2-nitroaniline
CID 10776983
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-[(2,4-difluorophenyl)-nitrosomethyl]-2-nitroaniline
CID 54018880
4-(4-fluorophenoxy)-2-nitroaniline
CID 142716049
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
2-(4-fluorophenyl)-4-nitroaniline
CID 139699338
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
4-chloro-2-nitroaniline
CID 6979
4-(2-chloro-4-fluorophenyl)-2-nitrobenzaldehyde
CID 176730065

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-nitroaniline?
The IUPAC name of 4-(2,4-difluorophenyl)-2-nitroaniline (CID 175739959) is 4-(2,4-difluorophenyl)-2-nitroaniline.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-nitroaniline?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-nitroaniline is Nc1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2,4-difluorophenyl)-2-nitroaniline?
The InChIKey is IUETVBUITWUJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(5-7)16(17)18/h1-6H,15H2.
What are the key properties of 4-(2,4-difluorophenyl)-2-nitroaniline?
4-(2,4-difluorophenyl)-2-nitroaniline has a molecular weight of 250.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-nitroaniline is sourced from PubChem (CID 175739959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).