1-(4-fluorophenyl)-4-methyl-2-nitrobenzene

C13H10FNO2 — CID 46314619

IUPAC1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
SMILESCc1ccc(-c2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FNO2/c1-9-2-7-12(13(8-9)15(16)17)10-3-5-11(14)6-4-10/h2-8H,1H3
InChIKeyOMHYQANSFYEZLQ-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.71
Rot. Bonds2

About 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene

1-(4-fluorophenyl)-4-methyl-2-nitrobenzene (PubChem CID 46314619) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
PubChem CID46314619
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
SMILESCc1ccc(-c2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FNO2/c1-9-2-7-12(13(8-9)15(16)17)10-3-5-11(14)6-4-10/h2-8H,1H3
InChIKeyOMHYQANSFYEZLQ-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

4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
2-(4-fluorophenyl)-5-methyl-3-nitropyridine
CID 46313040
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
trimethyl-[3-nitro-4-[4-(trimethylazaniumyl)phenyl]phenyl]azanium
CID 59981529
1,4-dimethyl-2-nitrobenzene
CID 20849377
3-(4-fluorophenyl)-4-nitrobenzoic acid
CID 46313085
2-(4-methyl-2-nitrophenyl)-1H-imidazole
CID 67618498
5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
CID 174229984
4-methyl-2-nitrophenolate
CID 6989903
4-(4-methylphenyl)-3-nitropyridine
CID 59113375

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene (CID 46314619) is 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene is Cc1ccc(-c2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene?
The InChIKey is OMHYQANSFYEZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-9-2-7-12(13(8-9)15(16)17)10-3-5-11(14)6-4-10/h2-8H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene?
1-(4-fluorophenyl)-4-methyl-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 1-(4-fluorophenyl)-4-methyl-2-nitrobenzene is sourced from PubChem (CID 46314619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).