4-fluoro-1-(4-methylphenyl)-2-nitrobenzene

C13H10FNO2 — CID 67753587

IUPAC4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
SMILESCc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10FNO2/c1-9-2-4-10(5-3-9)12-7-6-11(14)8-13(12)15(16)17/h2-8H,1H3
InChIKeyCQESCLOXUJILNP-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.71
Rot. Bonds2

About 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene

4-fluoro-1-(4-methylphenyl)-2-nitrobenzene (PubChem CID 67753587) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
PubChem CID67753587
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
SMILESCc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10FNO2/c1-9-2-4-10(5-3-9)12-7-6-11(14)8-13(12)15(16)17/h2-8H,1H3
InChIKeyCQESCLOXUJILNP-UHFFFAOYSA-N
XLogP3.71
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 53.71
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-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
CID 54506157
trimethyl-[3-nitro-4-[4-(trimethylazaniumyl)phenyl]phenyl]azanium
CID 59981529
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
3-(4-methylphenyl)-4-nitrophenol
CID 45098062
4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959
4-(4-fluoro-2-nitrophenyl)pyrimidine
CID 164602570
3-(4-fluorophenyl)-4-nitrobenzoic acid
CID 46313085
2-(4-fluorophenyl)-5-methyl-3-nitropyridine
CID 46313040

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene?
The IUPAC name of 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene (CID 67753587) is 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene.
What is the SMILES notation for 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene?
The canonical SMILES for 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene is Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene?
The InChIKey is CQESCLOXUJILNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-9-2-4-10(5-3-9)12-7-6-11(14)8-13(12)15(16)17/h2-8H,1H3.
What are the key properties of 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene?
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene has a molecular weight of 231.23 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methylphenyl)-2-nitrobenzene is sourced from PubChem (CID 67753587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).