3-(2-fluoro-6-nitrophenoxy)oxolane

C10H10FNO4 — CID 59360035

IUPAC3-(2-fluoro-6-nitrophenoxy)oxolane
SMILESO=[N+]([O-])c1cccc(F)c1OC1CCOC1
InChIInChI=1S/C10H10FNO4/c11-8-2-1-3-9(12(13)14)10(8)16-7-4-5-15-6-7/h1-3,7H,4-6H2
InChIKeyZMKHCIDGZSIRDD-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.90
Rot. Bonds3

About 3-(2-fluoro-6-nitrophenoxy)oxolane

3-(2-fluoro-6-nitrophenoxy)oxolane (PubChem CID 59360035) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-(2-fluoro-6-nitrophenoxy)oxolane.

Molecular Properties

Compound Name3-(2-fluoro-6-nitrophenoxy)oxolane
PubChem CID59360035
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-(2-fluoro-6-nitrophenoxy)oxolane
SMILESO=[N+]([O-])c1cccc(F)c1OC1CCOC1
InChIInChI=1S/C10H10FNO4/c11-8-2-1-3-9(12(13)14)10(8)16-7-4-5-15-6-7/h1-3,7H,4-6H2
InChIKeyZMKHCIDGZSIRDD-UHFFFAOYSA-N
XLogP1.90
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-nitrophenoxy)oxolane?
The IUPAC name of 3-(2-fluoro-6-nitrophenoxy)oxolane (CID 59360035) is 3-(2-fluoro-6-nitrophenoxy)oxolane.
What is the SMILES notation for 3-(2-fluoro-6-nitrophenoxy)oxolane?
The canonical SMILES for 3-(2-fluoro-6-nitrophenoxy)oxolane is O=[N+]([O-])c1cccc(F)c1OC1CCOC1.
What is the InChIKey of 3-(2-fluoro-6-nitrophenoxy)oxolane?
The InChIKey is ZMKHCIDGZSIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c11-8-2-1-3-9(12(13)14)10(8)16-7-4-5-15-6-7/h1-3,7H,4-6H2.
What are the key properties of 3-(2-fluoro-6-nitrophenoxy)oxolane?
3-(2-fluoro-6-nitrophenoxy)oxolane has a molecular weight of 227.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-nitrophenoxy)oxolane is sourced from PubChem (CID 59360035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).