2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane

C11H12FNO4 — CID 53255575

IUPAC2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane
SMILESO=[N+]([O-])c1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C11H12FNO4/c12-8-3-4-11(10(6-8)13(14)15)17-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeyNWPSPBDAEKRJNK-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.29
Rot. Bonds4

About 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane

2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane (PubChem CID 53255575) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane.

Molecular Properties

Compound Name2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane
PubChem CID53255575
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane
SMILESO=[N+]([O-])c1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C11H12FNO4/c12-8-3-4-11(10(6-8)13(14)15)17-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeyNWPSPBDAEKRJNK-UHFFFAOYSA-N
XLogP2.29
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.29
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 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane?
The IUPAC name of 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane (CID 53255575) is 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane.
What is the SMILES notation for 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane?
The canonical SMILES for 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane is O=[N+]([O-])c1cc(F)ccc1OCC1CCCO1.
What is the InChIKey of 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane?
The InChIKey is NWPSPBDAEKRJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-8-3-4-11(10(6-8)13(14)15)17-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane?
2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane has a molecular weight of 241.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-nitrophenoxy)methyl]oxolane is sourced from PubChem (CID 53255575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).