2-[(3-fluoro-5-nitrophenoxy)methyl]furan

C11H8FNO4 — CID 80753300

IUPAC2-[(3-fluoro-5-nitrophenoxy)methyl]furan
SMILESO=[N+]([O-])c1cc(F)cc(OCc2ccco2)c1
InChIInChI=1S/C11H8FNO4/c12-8-4-9(13(14)15)6-11(5-8)17-7-10-2-1-3-16-10/h1-6H,7H2
InChIKeyPKPDWUBIIBWUQC-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.91
Rot. Bonds4

About 2-[(3-fluoro-5-nitrophenoxy)methyl]furan

2-[(3-fluoro-5-nitrophenoxy)methyl]furan (PubChem CID 80753300) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-[(3-fluoro-5-nitrophenoxy)methyl]furan.

Molecular Properties

Compound Name2-[(3-fluoro-5-nitrophenoxy)methyl]furan
PubChem CID80753300
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name2-[(3-fluoro-5-nitrophenoxy)methyl]furan
SMILESO=[N+]([O-])c1cc(F)cc(OCc2ccco2)c1
InChIInChI=1S/C11H8FNO4/c12-8-4-9(13(14)15)6-11(5-8)17-7-10-2-1-3-16-10/h1-6H,7H2
InChIKeyPKPDWUBIIBWUQC-UHFFFAOYSA-N
XLogP2.91
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.91
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-[(3-fluoro-5-nitrophenoxy)methyl]furan?
The IUPAC name of 2-[(3-fluoro-5-nitrophenoxy)methyl]furan (CID 80753300) is 2-[(3-fluoro-5-nitrophenoxy)methyl]furan.
What is the SMILES notation for 2-[(3-fluoro-5-nitrophenoxy)methyl]furan?
The canonical SMILES for 2-[(3-fluoro-5-nitrophenoxy)methyl]furan is O=[N+]([O-])c1cc(F)cc(OCc2ccco2)c1.
What is the InChIKey of 2-[(3-fluoro-5-nitrophenoxy)methyl]furan?
The InChIKey is PKPDWUBIIBWUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-8-4-9(13(14)15)6-11(5-8)17-7-10-2-1-3-16-10/h1-6H,7H2.
What are the key properties of 2-[(3-fluoro-5-nitrophenoxy)methyl]furan?
2-[(3-fluoro-5-nitrophenoxy)methyl]furan has a molecular weight of 237.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-nitrophenoxy)methyl]furan is sourced from PubChem (CID 80753300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).