1,4-difluoro-2,5-dinitrobenzene

C6H2F2N2O4 — CID 14951568

IUPAC1,4-difluoro-2,5-dinitrobenzene
SMILESO=[N+]([O-])c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C6H2F2N2O4/c7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-2H
InChIKeyKJACNOJDSFUVGP-UHFFFAOYSA-N
MW204.09 g/mol
LogP1.78
Rot. Bonds2

About 1,4-difluoro-2,5-dinitrobenzene

1,4-difluoro-2,5-dinitrobenzene (PubChem CID 14951568) has the molecular formula C6H2F2N2O4 and a molecular weight of 204.09 g/mol. Its IUPAC name is 1,4-difluoro-2,5-dinitrobenzene.

Molecular Properties

Compound Name1,4-difluoro-2,5-dinitrobenzene
PubChem CID14951568
Molecular FormulaC6H2F2N2O4
Molecular Weight204.09 g/mol
Exact Mass204.00
IUPAC Name1,4-difluoro-2,5-dinitrobenzene
SMILESO=[N+]([O-])c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C6H2F2N2O4/c7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-2H
InChIKeyKJACNOJDSFUVGP-UHFFFAOYSA-N
XLogP1.78
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 51.78
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

acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
1-(2,5-difluoro-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzene
CID 118815275
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
1,4-difluoro-2-isothiocyanato-5-nitrobenzene
CID 22748331
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
2,4-difluoro-5-nitrobenzenediazonium
CID 82972698
1-ethenyl-2,4-difluoro-5-nitrobenzene
CID 15856683
(E)-3-(2,5-difluoro-4-nitrophenyl)prop-2-enenitrile
CID 142393352
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,5-dinitrobenzene?
The IUPAC name of 1,4-difluoro-2,5-dinitrobenzene (CID 14951568) is 1,4-difluoro-2,5-dinitrobenzene.
What is the SMILES notation for 1,4-difluoro-2,5-dinitrobenzene?
The canonical SMILES for 1,4-difluoro-2,5-dinitrobenzene is O=[N+]([O-])c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1,4-difluoro-2,5-dinitrobenzene?
The InChIKey is KJACNOJDSFUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2O4/c7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-2H.
What are the key properties of 1,4-difluoro-2,5-dinitrobenzene?
1,4-difluoro-2,5-dinitrobenzene has a molecular weight of 204.09 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2,5-dinitrobenzene is sourced from PubChem (CID 14951568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).