1,3-difluoro-5-(2-nitrophenyl)benzene

C12H7F2NO2 — CID 134598355

IUPAC1,3-difluoro-5-(2-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H7F2NO2/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15(16)17/h1-7H
InChIKeyRYBKIOBGTHCJLT-UHFFFAOYSA-N
MW235.19 g/mol
LogP3.54
Rot. Bonds2

About 1,3-difluoro-5-(2-nitrophenyl)benzene

1,3-difluoro-5-(2-nitrophenyl)benzene (PubChem CID 134598355) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 1,3-difluoro-5-(2-nitrophenyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(2-nitrophenyl)benzene
PubChem CID134598355
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name1,3-difluoro-5-(2-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H7F2NO2/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15(16)17/h1-7H
InChIKeyRYBKIOBGTHCJLT-UHFFFAOYSA-N
XLogP3.54
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
1-(4-isocyanatophenyl)-2-nitrobenzene
CID 87202293
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
1-nitro-2-phenylbenzene;pyridine
CID 174774599
2-fluoro-1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 174425918
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(2-nitrophenyl)benzene?
The IUPAC name of 1,3-difluoro-5-(2-nitrophenyl)benzene (CID 134598355) is 1,3-difluoro-5-(2-nitrophenyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(2-nitrophenyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(2-nitrophenyl)benzene is O=[N+]([O-])c1ccccc1-c1cc(F)cc(F)c1.
What is the InChIKey of 1,3-difluoro-5-(2-nitrophenyl)benzene?
The InChIKey is RYBKIOBGTHCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15(16)17/h1-7H.
What are the key properties of 1,3-difluoro-5-(2-nitrophenyl)benzene?
1,3-difluoro-5-(2-nitrophenyl)benzene has a molecular weight of 235.19 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(2-nitrophenyl)benzene is sourced from PubChem (CID 134598355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).