1-fluoro-3,5-dimethoxy-2-nitrobenzene

C8H8FNO4 — CID 71490874

IUPAC1-fluoro-3,5-dimethoxy-2-nitrobenzene
SMILESCOc1cc(F)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C8H8FNO4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,1-2H3
InChIKeyYSASARFLMXLJRM-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.75
Rot. Bonds3

About 1-fluoro-3,5-dimethoxy-2-nitrobenzene

1-fluoro-3,5-dimethoxy-2-nitrobenzene (PubChem CID 71490874) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-3,5-dimethoxy-2-nitrobenzene
PubChem CID71490874
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name1-fluoro-3,5-dimethoxy-2-nitrobenzene
SMILESCOc1cc(F)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C8H8FNO4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,1-2H3
InChIKeyYSASARFLMXLJRM-UHFFFAOYSA-N
XLogP1.75
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.75
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'}

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Related Compounds

1,3,5-trimethoxy-2-nitrobenzene
CID 518903
3,5-dimethoxy-2-nitrophenol
CID 10965507
(3-fluoro-5-methoxy-4-nitrophenyl)methanol
CID 67256643
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
3,5-dimethoxy-2-nitrobenzoic acid
CID 7472021
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499
2-(3-fluoro-5-methoxy-N-methyl-2-nitroanilino)ethanol
CID 133381446
3-fluoro-5-methoxy-N-methyl-N-(2-methylprop-2-enyl)-2-nitroaniline
CID 133439115
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1-(3-fluoro-5-methoxy-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile
CID 133426465
1-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]-5-methoxy-2-nitrobenzene
CID 160773806

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethoxy-2-nitrobenzene?
The IUPAC name of 1-fluoro-3,5-dimethoxy-2-nitrobenzene (CID 71490874) is 1-fluoro-3,5-dimethoxy-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-3,5-dimethoxy-2-nitrobenzene?
The canonical SMILES for 1-fluoro-3,5-dimethoxy-2-nitrobenzene is COc1cc(F)c([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 1-fluoro-3,5-dimethoxy-2-nitrobenzene?
The InChIKey is YSASARFLMXLJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,1-2H3.
What are the key properties of 1-fluoro-3,5-dimethoxy-2-nitrobenzene?
1-fluoro-3,5-dimethoxy-2-nitrobenzene has a molecular weight of 201.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-dimethoxy-2-nitrobenzene is sourced from PubChem (CID 71490874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).