(3R)-3-(5-fluoro-2-nitrophenoxy)oxolane

C10H10FNO4 — CID 58413223

IUPAC(3R)-3-(5-fluoro-2-nitrophenoxy)oxolane
SMILESO=[N+]([O-])c1ccc(F)cc1O[C@@H]1CCOC1
InChIInChI=1S/C10H10FNO4/c11-7-1-2-9(12(13)14)10(5-7)16-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2/t8-/m1/s1
InChIKeyODRGFLVESQITSU-MRVPVSSYSA-N
MW227.19 g/mol
LogP1.90
Rot. Bonds3

About (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane

(3R)-3-(5-fluoro-2-nitrophenoxy)oxolane (PubChem CID 58413223) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane.

Molecular Properties

Compound Name(3R)-3-(5-fluoro-2-nitrophenoxy)oxolane
PubChem CID58413223
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name(3R)-3-(5-fluoro-2-nitrophenoxy)oxolane
SMILESO=[N+]([O-])c1ccc(F)cc1O[C@@H]1CCOC1
InChIInChI=1S/C10H10FNO4/c11-7-1-2-9(12(13)14)10(5-7)16-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2/t8-/m1/s1
InChIKeyODRGFLVESQITSU-MRVPVSSYSA-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 (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane?
The IUPAC name of (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane (CID 58413223) is (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane.
What is the SMILES notation for (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane?
The canonical SMILES for (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane is O=[N+]([O-])c1ccc(F)cc1O[C@@H]1CCOC1.
What is the InChIKey of (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane?
The InChIKey is ODRGFLVESQITSU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10FNO4/c11-7-1-2-9(12(13)14)10(5-7)16-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2/t8-/m1/s1.
What are the key properties of (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane?
(3R)-3-(5-fluoro-2-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 (3R)-3-(5-fluoro-2-nitrophenoxy)oxolane is sourced from PubChem (CID 58413223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).