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

C12H7F2NO2 — CID 46312617

IUPAC4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)ccc1-c1cccc(F)c1
InChIInChI=1S/C12H7F2NO2/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15(16)17/h1-7H
InChIKeyLTDNFXSQWCNMSU-UHFFFAOYSA-N
MW235.19 g/mol
LogP3.54
Rot. Bonds2

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

4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene (PubChem CID 46312617) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
PubChem CID46312617
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)ccc1-c1cccc(F)c1
InChIInChI=1S/C12H7F2NO2/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15(16)17/h1-7H
InChIKeyLTDNFXSQWCNMSU-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-ethoxyphenyl)-4-fluoro-2-nitrobenzene
CID 54506157
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
CID 46312637
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044546
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177
5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile
CID 46314520
4-(4-fluoro-2-nitrophenyl)pyrimidine
CID 164602570
4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene?
The IUPAC name of 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene (CID 46312617) is 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene.
What is the SMILES notation for 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene?
The canonical SMILES for 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene is O=[N+]([O-])c1cc(F)ccc1-c1cccc(F)c1.
What is the InChIKey of 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene?
The InChIKey is LTDNFXSQWCNMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15(16)17/h1-7H.
What are the key properties of 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene?
4-fluoro-1-(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 4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene is sourced from PubChem (CID 46312617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).