(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone

C13H10FNO4 — CID 106876782

IUPAC(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H10FNO4/c1-7-5-9(14)6-8(2)12(7)13(16)10-3-4-11(19-10)15(17)18/h3-6H,1-2H3
InChIKeyGMXZJURISUBXRS-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.17
Rot. Bonds3

About (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone

(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone (PubChem CID 106876782) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone
PubChem CID106876782
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H10FNO4/c1-7-5-9(14)6-8(2)12(7)13(16)10-3-4-11(19-10)15(17)18/h3-6H,1-2H3
InChIKeyGMXZJURISUBXRS-UHFFFAOYSA-N
XLogP3.17
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone 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

5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone
CID 65279432
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
(2,4-dimethylphenyl) 5-nitrofuran-2-carboxylate
CID 47097436
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 145293615
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone
CID 79591372
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone (CID 106876782) is (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone is Cc1cc(F)cc(C)c1C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone?
The InChIKey is GMXZJURISUBXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-7-5-9(14)6-8(2)12(7)13(16)10-3-4-11(19-10)15(17)18/h3-6H,1-2H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone?
(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone has a molecular weight of 263.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 106876782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).