3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane

C10H19FO2 — CID 154959359

IUPAC3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane
SMILESCC(C)(F)COCCC1OC1(C)C
InChIInChI=1S/C10H19FO2/c1-9(2,11)7-12-6-5-8-10(3,4)13-8/h8H,5-7H2,1-4H3
InChIKeyWCTLBVOQBKFZRG-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.32
Rot. Bonds5

About 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane

3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane (PubChem CID 154959359) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane
PubChem CID154959359
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane
SMILESCC(C)(F)COCCC1OC1(C)C
InChIInChI=1S/C10H19FO2/c1-9(2,11)7-12-6-5-8-10(3,4)13-8/h8H,5-7H2,1-4H3
InChIKeyWCTLBVOQBKFZRG-UHFFFAOYSA-N
XLogP2.32
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane (CID 154959359) is 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane is CC(C)(F)COCCC1OC1(C)C.
What is the InChIKey of 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane?
The InChIKey is WCTLBVOQBKFZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-9(2,11)7-12-6-5-8-10(3,4)13-8/h8H,5-7H2,1-4H3.
What are the key properties of 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane?
3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane has a molecular weight of 190.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane is sourced from PubChem (CID 154959359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).