2-[(2-fluoro-5-nitrophenyl)methoxy]oxane

C12H14FNO4 — CID 22179631

IUPAC2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
SMILESO=[N+]([O-])c1ccc(F)c(COC2CCCCO2)c1
InChIInChI=1S/C12H14FNO4/c13-11-5-4-10(14(15)16)7-9(11)8-18-12-3-1-2-6-17-12/h4-5,7,12H,1-3,6,8H2
InChIKeyKJQBMQNPSISRFI-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.78
Rot. Bonds4

About 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane

2-[(2-fluoro-5-nitrophenyl)methoxy]oxane (PubChem CID 22179631) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
PubChem CID22179631
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
SMILESO=[N+]([O-])c1ccc(F)c(COC2CCCCO2)c1
InChIInChI=1S/C12H14FNO4/c13-11-5-4-10(14(15)16)7-9(11)8-18-12-3-1-2-6-17-12/h4-5,7,12H,1-3,6,8H2
InChIKeyKJQBMQNPSISRFI-UHFFFAOYSA-N
XLogP2.78
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.78
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-[(2-fluoro-5-nitrophenyl)methoxy]oxane?
The IUPAC name of 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane (CID 22179631) is 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane.
What is the SMILES notation for 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane?
The canonical SMILES for 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane is O=[N+]([O-])c1ccc(F)c(COC2CCCCO2)c1.
What is the InChIKey of 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane?
The InChIKey is KJQBMQNPSISRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c13-11-5-4-10(14(15)16)7-9(11)8-18-12-3-1-2-6-17-12/h4-5,7,12H,1-3,6,8H2.
What are the key properties of 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane?
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane has a molecular weight of 255.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-nitrophenyl)methoxy]oxane is sourced from PubChem (CID 22179631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).