2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone

C15H12FNO3 — CID 61079352

IUPAC2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FNO3/c1-10-7-12(5-6-14(10)17(19)20)15(18)9-11-3-2-4-13(16)8-11/h2-8H,9H2,1H3
InChIKeyIRNMPXLPLBKTOQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone

2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone (PubChem CID 61079352) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
PubChem CID61079352
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FNO3/c1-10-7-12(5-6-14(10)17(19)20)15(18)9-11-3-2-4-13(16)8-11/h2-8H,9H2,1H3
InChIKeyIRNMPXLPLBKTOQ-UHFFFAOYSA-N
XLogP3.47
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone 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-(3-fluorophenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079539
1-(3-methyl-4-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 62389970
2-(3-fluorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462026
1-(3-methyl-4-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 61078266
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590041
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
3-chloro-1-(3-methyl-4-nitrophenyl)propan-1-one
CID 134628673
2-(2-methoxyphenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079721
1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 107122498
2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
CID 155354849
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone (CID 61079352) is 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone is Cc1cc(C(=O)Cc2cccc(F)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone?
The InChIKey is IRNMPXLPLBKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-10-7-12(5-6-14(10)17(19)20)15(18)9-11-3-2-4-13(16)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone?
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone has a molecular weight of 273.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone is sourced from PubChem (CID 61079352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).