2,4-dichloro-1,5-difluoro-3-nitrobenzene

C6HCl2F2NO2 — CID 10911296

IUPAC2,4-dichloro-1,5-difluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1c(Cl)c(F)cc(F)c1Cl
InChIInChI=1S/C6HCl2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H
InChIKeyVGDZGWPMCGMBEO-UHFFFAOYSA-N
MW227.98 g/mol
LogP3.18
Rot. Bonds1

About 2,4-dichloro-1,5-difluoro-3-nitrobenzene

2,4-dichloro-1,5-difluoro-3-nitrobenzene (PubChem CID 10911296) has the molecular formula C6HCl2F2NO2 and a molecular weight of 227.98 g/mol. Its IUPAC name is 2,4-dichloro-1,5-difluoro-3-nitrobenzene.

Molecular Properties

Compound Name2,4-dichloro-1,5-difluoro-3-nitrobenzene
PubChem CID10911296
Molecular FormulaC6HCl2F2NO2
Molecular Weight227.98 g/mol
Exact Mass226.94
IUPAC Name2,4-dichloro-1,5-difluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1c(Cl)c(F)cc(F)c1Cl
InChIInChI=1S/C6HCl2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H
InChIKeyVGDZGWPMCGMBEO-UHFFFAOYSA-N
XLogP3.18
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.98
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-chloro-5-fluoro-3-nitrobenzene-1,2-diol
CID 88756964
2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
CID 22097048
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356
4-chloro-3,5-difluoro-N-methyl-2-nitroaniline
CID 122497392
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647
6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione
CID 70063138
1,4-dichloro-2,3,5-trifluoro-6-nitrobenzene
CID 118841547
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
1,2-dichloro-4-fluoro-5-methyl-3-nitrobenzene
CID 175351754
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
3-chloro-5-fluoro-4-nitropyridine
CID 131211572

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,5-difluoro-3-nitrobenzene?
The IUPAC name of 2,4-dichloro-1,5-difluoro-3-nitrobenzene (CID 10911296) is 2,4-dichloro-1,5-difluoro-3-nitrobenzene.
What is the SMILES notation for 2,4-dichloro-1,5-difluoro-3-nitrobenzene?
The canonical SMILES for 2,4-dichloro-1,5-difluoro-3-nitrobenzene is O=[N+]([O-])c1c(Cl)c(F)cc(F)c1Cl.
What is the InChIKey of 2,4-dichloro-1,5-difluoro-3-nitrobenzene?
The InChIKey is VGDZGWPMCGMBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H.
What are the key properties of 2,4-dichloro-1,5-difluoro-3-nitrobenzene?
2,4-dichloro-1,5-difluoro-3-nitrobenzene has a molecular weight of 227.98 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,5-difluoro-3-nitrobenzene is sourced from PubChem (CID 10911296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).