2,4-difluoro-6-nitrobenzonitrile

C7H2F2N2O2 — CID 119017167

IUPAC2,4-difluoro-6-nitrobenzonitrile
SMILESN#Cc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H2F2N2O2/c8-4-1-6(9)5(3-10)7(2-4)11(12)13/h1-2H
InChIKeyWQJWDXFESCRURS-UHFFFAOYSA-N
MW184.10 g/mol
LogP1.74
Rot. Bonds1

About 2,4-difluoro-6-nitrobenzonitrile

2,4-difluoro-6-nitrobenzonitrile (PubChem CID 119017167) has the molecular formula C7H2F2N2O2 and a molecular weight of 184.10 g/mol. Its IUPAC name is 2,4-difluoro-6-nitrobenzonitrile.

Molecular Properties

Compound Name2,4-difluoro-6-nitrobenzonitrile
PubChem CID119017167
Molecular FormulaC7H2F2N2O2
Molecular Weight184.10 g/mol
Exact Mass184.01
IUPAC Name2,4-difluoro-6-nitrobenzonitrile
SMILESN#Cc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H2F2N2O2/c8-4-1-6(9)5(3-10)7(2-4)11(12)13/h1-2H
InChIKeyWQJWDXFESCRURS-UHFFFAOYSA-N
XLogP1.74
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-6-nitrobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-methyl-6-nitrobenzonitrile
CID 130981867
2-(2,4-difluoro-6-nitrophenyl)acetonitrile
CID 119024673
3-fluoro-5-nitropyridine-4-carbonitrile
CID 131169176
ethyl 4-cyano-3-fluoro-5-nitrobenzoate
CID 134645242
ethyl 2-cyano-5-fluoro-3-nitrobenzoate
CID 134643608
2-(4-fluoro-2,6-dinitrophenyl)acetonitrile
CID 53399258
2-amino-5-bromo-6-fluoro-3-nitrobenzonitrile
CID 86662399
2-fluoro-4-nitro-6-sulfanylbenzonitrile
CID 171011516
4-(difluoromethyl)-3-fluoro-2,6-dinitrobenzonitrile
CID 88847883
2,6-dichloro-3,5-dinitrobenzonitrile
CID 154236492
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
CID 133107766

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-nitrobenzonitrile?
The IUPAC name of 2,4-difluoro-6-nitrobenzonitrile (CID 119017167) is 2,4-difluoro-6-nitrobenzonitrile.
What is the SMILES notation for 2,4-difluoro-6-nitrobenzonitrile?
The canonical SMILES for 2,4-difluoro-6-nitrobenzonitrile is N#Cc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2,4-difluoro-6-nitrobenzonitrile?
The InChIKey is WQJWDXFESCRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2N2O2/c8-4-1-6(9)5(3-10)7(2-4)11(12)13/h1-2H.
What are the key properties of 2,4-difluoro-6-nitrobenzonitrile?
2,4-difluoro-6-nitrobenzonitrile has a molecular weight of 184.10 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-nitrobenzonitrile is sourced from PubChem (CID 119017167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).