1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene

C13H9F2NO4 — CID 131855225

IUPAC1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1Oc1ccccc1OC(F)F
InChIInChI=1S/C13H9F2NO4/c14-13(15)20-12-8-4-3-7-11(12)19-10-6-2-1-5-9(10)16(17)18/h1-8,13H
InChIKeyWTYDFHWEYARUTG-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.99
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene

1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene (PubChem CID 131855225) has the molecular formula C13H9F2NO4 and a molecular weight of 281.21 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
PubChem CID131855225
Molecular FormulaC13H9F2NO4
Molecular Weight281.21 g/mol
Exact Mass281.05
IUPAC Name1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1Oc1ccccc1OC(F)F
InChIInChI=1S/C13H9F2NO4/c14-13(15)20-12-8-4-3-7-11(12)19-10-6-2-1-5-9(10)16(17)18/h1-8,13H
InChIKeyWTYDFHWEYARUTG-UHFFFAOYSA-N
XLogP3.99
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.99
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

1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
CID 162601038
CID 162601038
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
2-(2-nitrophenoxy)benzoic acid
CID 19922477
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol
CID 75402727
4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
1,3,5-trichloro-2-(2-nitrophenoxy)benzene
CID 2306205

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene?
The IUPAC name of 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene (CID 131855225) is 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene?
The canonical SMILES for 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene is O=[N+]([O-])c1ccccc1Oc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene?
The InChIKey is WTYDFHWEYARUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4/c14-13(15)20-12-8-4-3-7-11(12)19-10-6-2-1-5-9(10)16(17)18/h1-8,13H.
What are the key properties of 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene?
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene has a molecular weight of 281.21 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene is sourced from PubChem (CID 131855225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).