3-(5-fluoro-2-nitrophenoxy)oxolan-2-one

C10H8FNO5 — CID 54523367

IUPAC3-(5-fluoro-2-nitrophenoxy)oxolan-2-one
SMILESO=C1OCCC1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H8FNO5/c11-6-1-2-7(12(14)15)9(5-6)17-8-3-4-16-10(8)13/h1-2,5,8H,3-4H2
InChIKeyYRKLJBDNDJZFGA-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.43
Rot. Bonds3

About 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one

3-(5-fluoro-2-nitrophenoxy)oxolan-2-one (PubChem CID 54523367) has the molecular formula C10H8FNO5 and a molecular weight of 241.17 g/mol. Its IUPAC name is 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one.

Molecular Properties

Compound Name3-(5-fluoro-2-nitrophenoxy)oxolan-2-one
PubChem CID54523367
Molecular FormulaC10H8FNO5
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name3-(5-fluoro-2-nitrophenoxy)oxolan-2-one
SMILESO=C1OCCC1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H8FNO5/c11-6-1-2-7(12(14)15)9(5-6)17-8-3-4-16-10(8)13/h1-2,5,8H,3-4H2
InChIKeyYRKLJBDNDJZFGA-UHFFFAOYSA-N
XLogP1.43
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(5-fluoro-2-nitrophenoxy)oxolan-2-one?
The IUPAC name of 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one (CID 54523367) is 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one.
What is the SMILES notation for 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one?
The canonical SMILES for 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one is O=C1OCCC1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one?
The InChIKey is YRKLJBDNDJZFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO5/c11-6-1-2-7(12(14)15)9(5-6)17-8-3-4-16-10(8)13/h1-2,5,8H,3-4H2.
What are the key properties of 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one?
3-(5-fluoro-2-nitrophenoxy)oxolan-2-one has a molecular weight of 241.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-nitrophenoxy)oxolan-2-one is sourced from PubChem (CID 54523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).