2-fluoro-1-methoxy-5-methyl-3-nitrobenzene

C8H8FNO3 — CID 131213041

IUPAC2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
SMILESCOc1cc(C)cc([N+](=O)[O-])c1F
InChIInChI=1S/C8H8FNO3/c1-5-3-6(10(11)12)8(9)7(4-5)13-2/h3-4H,1-2H3
InChIKeyFAUKIGPDENDPLM-UHFFFAOYSA-N
MW185.15 g/mol
LogP2.05
Rot. Bonds2

About 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene

2-fluoro-1-methoxy-5-methyl-3-nitrobenzene (PubChem CID 131213041) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
PubChem CID131213041
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
SMILESCOc1cc(C)cc([N+](=O)[O-])c1F
InChIInChI=1S/C8H8FNO3/c1-5-3-6(10(11)12)8(9)7(4-5)13-2/h3-4H,1-2H3
InChIKeyFAUKIGPDENDPLM-UHFFFAOYSA-N
XLogP2.05
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 52.05
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'}

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Related Compounds

2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2-fluoro-5-methyl-3-nitrobenzenethiol
CID 130883668
2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
2-(2-fluoro-5-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 131566605
2-chloro-5-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 118799998
1-bromo-2-methoxy-5-methyl-3-nitrobenzene;ethane
CID 166130552
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
3,4-difluoro-2-methoxy-5-nitroaniline
CID 118913135
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
CID 71079266

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene?
The IUPAC name of 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene (CID 131213041) is 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene?
The canonical SMILES for 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene is COc1cc(C)cc([N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene?
The InChIKey is FAUKIGPDENDPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-5-3-6(10(11)12)8(9)7(4-5)13-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene?
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene has a molecular weight of 185.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-5-methyl-3-nitrobenzene is sourced from PubChem (CID 131213041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).