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

C8H8FNO4 — CID 118807824

IUPAC5-fluoro-1,2-dimethoxy-3-nitrobenzene
SMILESCOc1cc(F)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C8H8FNO4/c1-13-7-4-5(9)3-6(10(11)12)8(7)14-2/h3-4H,1-2H3
InChIKeyKYKIPRXEHKLVMG-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.75
Rot. Bonds3

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

5-fluoro-1,2-dimethoxy-3-nitrobenzene (PubChem CID 118807824) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is 5-fluoro-1,2-dimethoxy-3-nitrobenzene.

Molecular Properties

Compound Name5-fluoro-1,2-dimethoxy-3-nitrobenzene
PubChem CID118807824
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name5-fluoro-1,2-dimethoxy-3-nitrobenzene
SMILESCOc1cc(F)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C8H8FNO4/c1-13-7-4-5(9)3-6(10(11)12)8(7)14-2/h3-4H,1-2H3
InChIKeyKYKIPRXEHKLVMG-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

4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone
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1,2-dimethoxy-4-nitronaphthalene
CID 12579212
5-ethynyl-1,2-dimethoxy-3-nitrobenzene
CID 142496757
5-(iodomethyl)-1,2-dimethoxy-3-nitrobenzene
CID 22959553
5-(dimethoxymethyl)-1,2-dimethoxy-3-nitrobenzene
CID 118565953
2-(3,4-dimethoxy-5-nitrophenyl)propan-2-ol
CID 116987734
2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 55825075
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
1-bromo-2,3-difluoro-4-methoxy-5-nitrobenzene
CID 99770301
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2-dimethoxy-3-nitrobenzene?
The IUPAC name of 5-fluoro-1,2-dimethoxy-3-nitrobenzene (CID 118807824) is 5-fluoro-1,2-dimethoxy-3-nitrobenzene.
What is the SMILES notation for 5-fluoro-1,2-dimethoxy-3-nitrobenzene?
The canonical SMILES for 5-fluoro-1,2-dimethoxy-3-nitrobenzene is COc1cc(F)cc([N+](=O)[O-])c1OC.
What is the InChIKey of 5-fluoro-1,2-dimethoxy-3-nitrobenzene?
The InChIKey is KYKIPRXEHKLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-13-7-4-5(9)3-6(10(11)12)8(7)14-2/h3-4H,1-2H3.
What are the key properties of 5-fluoro-1,2-dimethoxy-3-nitrobenzene?
5-fluoro-1,2-dimethoxy-3-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 5-fluoro-1,2-dimethoxy-3-nitrobenzene is sourced from PubChem (CID 118807824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).