4-fluoro-2-methyl-1-(3-nitrophenyl)benzene

C13H10FNO2 — CID 57155248

IUPAC4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
SMILESCc1cc(F)ccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10FNO2/c1-9-7-11(14)5-6-13(9)10-3-2-4-12(8-10)15(16)17/h2-8H,1H3
InChIKeyAULYHEIZYJJVLD-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.71
Rot. Bonds2

About 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene

4-fluoro-2-methyl-1-(3-nitrophenyl)benzene (PubChem CID 57155248) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
PubChem CID57155248
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
SMILESCc1cc(F)ccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10FNO2/c1-9-7-11(14)5-6-13(9)10-3-2-4-12(8-10)15(16)17/h2-8H,1H3
InChIKeyAULYHEIZYJJVLD-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'}

Analyze 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine
CID 66479824
4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene
CID 172579003
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
methyl 3-(4-fluoro-2-methylphenyl)-5-nitrobenzoate
CID 115512405
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene?
The IUPAC name of 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene (CID 57155248) is 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene?
The canonical SMILES for 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene is Cc1cc(F)ccc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene?
The InChIKey is AULYHEIZYJJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-9-7-11(14)5-6-13(9)10-3-2-4-12(8-10)15(16)17/h2-8H,1H3.
What are the key properties of 4-fluoro-2-methyl-1-(3-nitrophenyl)benzene?
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene 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-2-methyl-1-(3-nitrophenyl)benzene is sourced from PubChem (CID 57155248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).