1-(difluoromethyl)-2,4-dinitrobenzene

C7H4F2N2O4 — CID 154791323

IUPAC1-(difluoromethyl)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(C(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4F2N2O4/c8-7(9)5-2-1-4(10(12)13)3-6(5)11(14)15/h1-3,7H
InChIKeyDPUPDCWUGMLKLN-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.44
Rot. Bonds3

About 1-(difluoromethyl)-2,4-dinitrobenzene

1-(difluoromethyl)-2,4-dinitrobenzene (PubChem CID 154791323) has the molecular formula C7H4F2N2O4 and a molecular weight of 218.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,4-dinitrobenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2,4-dinitrobenzene
PubChem CID154791323
Molecular FormulaC7H4F2N2O4
Molecular Weight218.12 g/mol
Exact Mass218.01
IUPAC Name1-(difluoromethyl)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(C(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4F2N2O4/c8-7(9)5-2-1-4(10(12)13)3-6(5)11(14)15/h1-3,7H
InChIKeyDPUPDCWUGMLKLN-UHFFFAOYSA-N
XLogP2.44
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-3-nitrobenzonitrile
CID 96536478
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
1-bromo-2-(difluoromethyl)-4-nitrobenzene
CID 122515601
2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
CID 166610284
1-[(1S,2R)-1,2-dichloro-2-[4-[(1R,2S)-1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitrobenzene
CID 99844691
1-[(1S,2R)-1,2-dibromo-2-[4-[(1R,2S)-1,2-dibromo-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitrobenzene
CID 100805136
2,4-dinitro-1-pent-4-en-2-ylbenzene
CID 101449695
dimethyl 2-(2,4-dinitrophenyl)propanedioate
CID 3744583
1-(2,4-dinitrophenyl)but-3-en-1-ol
CID 10681381
1-[(E)-3-methylhex-4-en-2-yl]-2,4-dinitrobenzene
CID 101449692
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine
CID 79427922

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,4-dinitrobenzene?
The IUPAC name of 1-(difluoromethyl)-2,4-dinitrobenzene (CID 154791323) is 1-(difluoromethyl)-2,4-dinitrobenzene.
What is the SMILES notation for 1-(difluoromethyl)-2,4-dinitrobenzene?
The canonical SMILES for 1-(difluoromethyl)-2,4-dinitrobenzene is O=[N+]([O-])c1ccc(C(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(difluoromethyl)-2,4-dinitrobenzene?
The InChIKey is DPUPDCWUGMLKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O4/c8-7(9)5-2-1-4(10(12)13)3-6(5)11(14)15/h1-3,7H.
What are the key properties of 1-(difluoromethyl)-2,4-dinitrobenzene?
1-(difluoromethyl)-2,4-dinitrobenzene has a molecular weight of 218.12 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,4-dinitrobenzene is sourced from PubChem (CID 154791323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).