2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane

C9H15FO2 — CID 131993565

IUPAC2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane
SMILESCC(F)=COC(C)(C)CC1CO1
InChIInChI=1S/C9H15FO2/c1-7(10)5-12-9(2,3)4-8-6-11-8/h5,8H,4,6H2,1-3H3
InChIKeyITDVZUJQGDYYTG-UHFFFAOYSA-N
MW174.22 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane

2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane (PubChem CID 131993565) has the molecular formula C9H15FO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane
PubChem CID131993565
Molecular FormulaC9H15FO2
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Name2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane
SMILESCC(F)=COC(C)(C)CC1CO1
InChIInChI=1S/C9H15FO2/c1-7(10)5-12-9(2,3)4-8-6-11-8/h5,8H,4,6H2,1-3H3
InChIKeyITDVZUJQGDYYTG-UHFFFAOYSA-N
XLogP2.40
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane?
The IUPAC name of 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane (CID 131993565) is 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane.
What is the SMILES notation for 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane?
The canonical SMILES for 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane is CC(F)=COC(C)(C)CC1CO1.
What is the InChIKey of 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane?
The InChIKey is ITDVZUJQGDYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-7(10)5-12-9(2,3)4-8-6-11-8/h5,8H,4,6H2,1-3H3.
What are the key properties of 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane?
2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane has a molecular weight of 174.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane is sourced from PubChem (CID 131993565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).