2-(5-fluoro-2-isocyanophenoxy)oxolane

C11H10FNO2 — CID 57327305

IUPAC2-(5-fluoro-2-isocyanophenoxy)oxolane
SMILES[C-]#[N+]c1ccc(F)cc1OC1CCCO1
InChIInChI=1S/C11H10FNO2/c1-13-9-5-4-8(12)7-10(9)15-11-3-2-6-14-11/h4-5,7,11H,2-3,6H2
InChIKeyHKMXGVFQTCHBLJ-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.89
Rot. Bonds2

About 2-(5-fluoro-2-isocyanophenoxy)oxolane

2-(5-fluoro-2-isocyanophenoxy)oxolane (PubChem CID 57327305) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-isocyanophenoxy)oxolane.

Molecular Properties

Compound Name2-(5-fluoro-2-isocyanophenoxy)oxolane
PubChem CID57327305
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-(5-fluoro-2-isocyanophenoxy)oxolane
SMILES[C-]#[N+]c1ccc(F)cc1OC1CCCO1
InChIInChI=1S/C11H10FNO2/c1-13-9-5-4-8(12)7-10(9)15-11-3-2-6-14-11/h4-5,7,11H,2-3,6H2
InChIKeyHKMXGVFQTCHBLJ-UHFFFAOYSA-N
XLogP2.89
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-isocyanophenoxy)oxolane?
The IUPAC name of 2-(5-fluoro-2-isocyanophenoxy)oxolane (CID 57327305) is 2-(5-fluoro-2-isocyanophenoxy)oxolane.
What is the SMILES notation for 2-(5-fluoro-2-isocyanophenoxy)oxolane?
The canonical SMILES for 2-(5-fluoro-2-isocyanophenoxy)oxolane is [C-]#[N+]c1ccc(F)cc1OC1CCCO1.
What is the InChIKey of 2-(5-fluoro-2-isocyanophenoxy)oxolane?
The InChIKey is HKMXGVFQTCHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-13-9-5-4-8(12)7-10(9)15-11-3-2-6-14-11/h4-5,7,11H,2-3,6H2.
What are the key properties of 2-(5-fluoro-2-isocyanophenoxy)oxolane?
2-(5-fluoro-2-isocyanophenoxy)oxolane has a molecular weight of 207.20 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-isocyanophenoxy)oxolane is sourced from PubChem (CID 57327305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).