1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene

C12H7F2NO2 — CID 46312637

IUPAC1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C12H7F2NO2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(7-9)15(16)17/h1-7H
InChIKeyPXWKYKMPTIQGHE-UHFFFAOYSA-N
MW235.19 g/mol
LogP3.54
Rot. Bonds2

About 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene

1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene (PubChem CID 46312637) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
PubChem CID46312637
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C12H7F2NO2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(7-9)15(16)17/h1-7H
InChIKeyPXWKYKMPTIQGHE-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

4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
1,2,3-trichloro-5-(4-fluoro-3-nitrophenyl)benzene
CID 134628234
5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile
CID 46314520
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044546
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene?
The IUPAC name of 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene (CID 46312637) is 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene?
The canonical SMILES for 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene is O=[N+]([O-])c1cc(-c2cccc(F)c2)ccc1F.
What is the InChIKey of 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene?
The InChIKey is PXWKYKMPTIQGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(7-9)15(16)17/h1-7H.
What are the key properties of 1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene?
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene 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-fluoro-4-(3-fluorophenyl)-2-nitrobenzene is sourced from PubChem (CID 46312637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).