1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol

C13H10F2N2O6 — CID 141028739

IUPAC1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
SMILESO=[N+]([O-])c1ccccc1O.O=[N+]([O-])c1ccccc1OC(F)F
InChIInChI=1S/C7H5F2NO3.C6H5NO3/c8-7(9)13-6-4-2-1-3-5(6)10(11)12;8-6-4-2-1-3-5(6)7(9)10/h1-4,7H;1-4,8H
InChIKeyFGYZQADVCPMRTQ-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.50
Rot. Bonds4

About 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol

1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol (PubChem CID 141028739) has the molecular formula C13H10F2N2O6 and a molecular weight of 328.23 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
PubChem CID141028739
Molecular FormulaC13H10F2N2O6
Molecular Weight328.23 g/mol
Exact Mass328.05
IUPAC Name1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
SMILESO=[N+]([O-])c1ccccc1O.O=[N+]([O-])c1ccccc1OC(F)F
InChIInChI=1S/C7H5F2NO3.C6H5NO3/c8-7(9)13-6-4-2-1-3-5(6)10(11)12;8-6-4-2-1-3-5(6)7(9)10/h1-4,7H;1-4,8H
InChIKeyFGYZQADVCPMRTQ-UHFFFAOYSA-N
XLogP3.50
TPSA115.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
CID 162601038
CID 162601038
methanol;2-nitrophenol
CID 157303764
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
disodium;hydride;2-nitrophenol
CID 174745512
1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol
CID 75402727
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
formamide;2-nitrophenol
CID 20538790
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
2-chlorophenol;2-nitrophenol
CID 23467444
1-chloro-2-nitrobenzene;2-nitrophenol
CID 175689577

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol?
The IUPAC name of 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol (CID 141028739) is 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol.
What is the SMILES notation for 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol?
The canonical SMILES for 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol is O=[N+]([O-])c1ccccc1O.O=[N+]([O-])c1ccccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol?
The InChIKey is FGYZQADVCPMRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3.C6H5NO3/c8-7(9)13-6-4-2-1-3-5(6)10(11)12;8-6-4-2-1-3-5(6)7(9)10/h1-4,7H;1-4,8H.
What are the key properties of 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol?
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol has a molecular weight of 328.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol is sourced from PubChem (CID 141028739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).