2-(difluoromethoxy)-4-nitrophenol

C7H5F2NO4 — CID 118799292

IUPAC2-(difluoromethoxy)-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(OC(F)F)c1
InChIInChI=1S/C7H5F2NO4/c8-7(9)14-6-3-4(10(12)13)1-2-5(6)11/h1-3,7,11H
InChIKeyJGACMUFORAQOSU-UHFFFAOYSA-N
MW205.12 g/mol
LogP1.90
Rot. Bonds3

About 2-(difluoromethoxy)-4-nitrophenol

2-(difluoromethoxy)-4-nitrophenol (PubChem CID 118799292) has the molecular formula C7H5F2NO4 and a molecular weight of 205.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-nitrophenol.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-nitrophenol
PubChem CID118799292
Molecular FormulaC7H5F2NO4
Molecular Weight205.12 g/mol
Exact Mass205.02
IUPAC Name2-(difluoromethoxy)-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(OC(F)F)c1
InChIInChI=1S/C7H5F2NO4/c8-7(9)14-6-3-4(10(12)13)1-2-5(6)11/h1-3,7,11H
InChIKeyJGACMUFORAQOSU-UHFFFAOYSA-N
XLogP1.90
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
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

2-(difluoromethoxy)-4-nitro-1-(trifluoromethoxy)benzene
CID 46311619
ethane;2-methoxy-4-nitrophenol
CID 91188946
1-bromo-1-[2-(difluoromethoxy)-4-nitrophenyl]propan-2-one
CID 134615676
2-(chloromethyl)-1-(difluoromethoxy)-4-nitrobenzene
CID 43472992
2-(1-hydroxyethoxy)-5-nitrophenol
CID 67929742
dichloromethane;2-methoxy-4-nitrophenol
CID 141183892
2-methoxy-4-nitrophenol;phosphoric acid
CID 174688966
2-chloro-N'-[2-(difluoromethoxy)-5-nitrophenyl]ethanimidamide
CID 169366177
N-[2-[2-(difluoromethoxy)-4-nitroanilino]ethyl]acetamide
CID 133467157
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
1-(2-amino-5-nitrophenoxy)ethanol
CID 70496099
1-[2-(difluoromethoxy)-4-nitrophenyl]-3-methyl-1,2,4-triazole
CID 118418725

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-nitrophenol?
The IUPAC name of 2-(difluoromethoxy)-4-nitrophenol (CID 118799292) is 2-(difluoromethoxy)-4-nitrophenol.
What is the SMILES notation for 2-(difluoromethoxy)-4-nitrophenol?
The canonical SMILES for 2-(difluoromethoxy)-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-nitrophenol?
The InChIKey is JGACMUFORAQOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO4/c8-7(9)14-6-3-4(10(12)13)1-2-5(6)11/h1-3,7,11H.
What are the key properties of 2-(difluoromethoxy)-4-nitrophenol?
2-(difluoromethoxy)-4-nitrophenol has a molecular weight of 205.12 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-nitrophenol is sourced from PubChem (CID 118799292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).