1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene

C13H9F2NO3 — CID 58824156

IUPAC1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C13H9F2NO3/c14-13(15)19-12-7-3-10(4-8-12)9-1-5-11(6-2-9)16(17)18/h1-8,13H
InChIKeyLPJWNQSOZHQJLK-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.86
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene

1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene (PubChem CID 58824156) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene
PubChem CID58824156
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C13H9F2NO3/c14-13(15)19-12-7-3-10(4-8-12)9-1-5-11(6-2-9)16(17)18/h1-8,13H
InChIKeyLPJWNQSOZHQJLK-UHFFFAOYSA-N
XLogP3.86
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.86
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-[4-(difluoromethoxy)phenyl]-4-nitrobenzene?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene (CID 58824156) is 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene is O=[N+]([O-])c1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene?
The InChIKey is LPJWNQSOZHQJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-13(15)19-12-7-3-10(4-8-12)9-1-5-11(6-2-9)16(17)18/h1-8,13H.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene?
1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene has a molecular weight of 265.22 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-4-nitrobenzene is sourced from PubChem (CID 58824156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).