2-fluoro-1-methoxy-3-nitrobenzene

C7H6FNO3 — CID 21416461

IUPAC2-fluoro-1-methoxy-3-nitrobenzene
SMILESCOc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChIKeyWDQHQUDZNPCCAF-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.74
Rot. Bonds2

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

2-fluoro-1-methoxy-3-nitrobenzene (PubChem CID 21416461) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-nitrobenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-nitrobenzene
PubChem CID21416461
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name2-fluoro-1-methoxy-3-nitrobenzene
SMILESCOc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChIKeyWDQHQUDZNPCCAF-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-nitrobenzene?
The IUPAC name of 2-fluoro-1-methoxy-3-nitrobenzene (CID 21416461) is 2-fluoro-1-methoxy-3-nitrobenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-nitrobenzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-nitrobenzene is COc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-nitrobenzene?
The InChIKey is WDQHQUDZNPCCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3.
What are the key properties of 2-fluoro-1-methoxy-3-nitrobenzene?
2-fluoro-1-methoxy-3-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 2-fluoro-1-methoxy-3-nitrobenzene is sourced from PubChem (CID 21416461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).