1-fluoro-4-methoxy-2-nitrobenzene

C7H6FNO3 — CID 565653

IUPAC1-fluoro-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6FNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKeyZRIKJXDEJYMBEJ-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.74
Rot. Bonds2

About 1-fluoro-4-methoxy-2-nitrobenzene

1-fluoro-4-methoxy-2-nitrobenzene (PubChem CID 565653) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-4-methoxy-2-nitrobenzene
PubChem CID565653
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name1-fluoro-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6FNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKeyZRIKJXDEJYMBEJ-UHFFFAOYSA-N
XLogP1.74
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 51.74
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-Nitroanisole
CID 7048
3-Methoxyaniline
CID 10824
2-Methoxy-4-nitroaniline
CID 7337
4-Nitroanisole
CID 7485
4-Methoxy-2-nitroaniline
CID 66793
Sodium 5-nitroguaiacolate
CID 3017748
2,5-Dimethoxynitrobenzene
CID 66639
Benzene, 1-methoxy-3,5-dinitro-
CID 79231
3-(Trifluoromethoxy)aniline
CID 73753
3-Nitroanisole
CID 11140
1,2-Dimethoxy-4-nitrobenzene
CID 69728
4-Chloro-3-nitroanisole
CID 25140

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-2-nitrobenzene?
The IUPAC name of 1-fluoro-4-methoxy-2-nitrobenzene (CID 565653) is 1-fluoro-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1-fluoro-4-methoxy-2-nitrobenzene is COc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-fluoro-4-methoxy-2-nitrobenzene?
The InChIKey is ZRIKJXDEJYMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3.
What are the key properties of 1-fluoro-4-methoxy-2-nitrobenzene?
1-fluoro-4-methoxy-2-nitrobenzene has a molecular weight of 171.13 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 565653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).