1-(difluoromethoxy)-4-nitrobenzene

C7H5F2NO3 — CID 2737014

IUPAC1-(difluoromethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC(F)F)cc1
InChIInChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
InChIKeySVGGBARCOQPYMV-UHFFFAOYSA-N
MW189.12 g/mol
LogP2.20
Rot. Bonds3

About 1-(difluoromethoxy)-4-nitrobenzene

1-(difluoromethoxy)-4-nitrobenzene (PubChem CID 2737014) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-nitrobenzene
PubChem CID2737014
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name1-(difluoromethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC(F)F)cc1
InChIInChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
InChIKeySVGGBARCOQPYMV-UHFFFAOYSA-N
XLogP2.20
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-nitrobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-nitrobenzene (CID 2737014) is 1-(difluoromethoxy)-4-nitrobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-nitrobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-nitrobenzene?
The InChIKey is SVGGBARCOQPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H.
What are the key properties of 1-(difluoromethoxy)-4-nitrobenzene?
1-(difluoromethoxy)-4-nitrobenzene has a molecular weight of 189.12 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-nitrobenzene is sourced from PubChem (CID 2737014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).