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

C8H8FNO4 — CID 15324514

IUPAC2-fluoro-1,5-dimethoxy-3-nitrobenzene
SMILESCOc1cc(OC)c(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8FNO4/c1-13-5-3-6(10(11)12)8(9)7(4-5)14-2/h3-4H,1-2H3
InChIKeyFUSFHZBVEXEVDN-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.75
Rot. Bonds3

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

2-fluoro-1,5-dimethoxy-3-nitrobenzene (PubChem CID 15324514) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-fluoro-1,5-dimethoxy-3-nitrobenzene.

Molecular Properties

Compound Name2-fluoro-1,5-dimethoxy-3-nitrobenzene
PubChem CID15324514
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name2-fluoro-1,5-dimethoxy-3-nitrobenzene
SMILESCOc1cc(OC)c(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8FNO4/c1-13-5-3-6(10(11)12)8(9)7(4-5)14-2/h3-4H,1-2H3
InChIKeyFUSFHZBVEXEVDN-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

2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
CID 91554743
1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene
CID 1421523
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine
CID 87512299
1-iodo-5-methoxy-2-methyl-3-nitrobenzene
CID 130090732
3,5-dimethoxy-2-nitrophenol
CID 10965507

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,5-dimethoxy-3-nitrobenzene?
The IUPAC name of 2-fluoro-1,5-dimethoxy-3-nitrobenzene (CID 15324514) is 2-fluoro-1,5-dimethoxy-3-nitrobenzene.
What is the SMILES notation for 2-fluoro-1,5-dimethoxy-3-nitrobenzene?
The canonical SMILES for 2-fluoro-1,5-dimethoxy-3-nitrobenzene is COc1cc(OC)c(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-1,5-dimethoxy-3-nitrobenzene?
The InChIKey is FUSFHZBVEXEVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-13-5-3-6(10(11)12)8(9)7(4-5)14-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-1,5-dimethoxy-3-nitrobenzene?
2-fluoro-1,5-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 2-fluoro-1,5-dimethoxy-3-nitrobenzene is sourced from PubChem (CID 15324514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).