3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane

C10H15F3O2 — CID 151406869

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
SMILESCC(C)=COCCC1COC1C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-7(2)5-14-4-3-8-6-15-9(8)10(11,12)13/h5,8-9H,3-4,6H2,1-2H3
InChIKeyOXRMMRICCHWRIE-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane

3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane (PubChem CID 151406869) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
PubChem CID151406869
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
SMILESCC(C)=COCCC1COC1C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-7(2)5-14-4-3-8-6-15-9(8)10(11,12)13/h5,8-9H,3-4,6H2,1-2H3
InChIKeyOXRMMRICCHWRIE-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-Trifluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 149981067
3-(2-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 150116824
2,2-Difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150317427
2-(2-Methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 150355616
2-[2-(2-Methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
CID 150377319
1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
CID 150668606
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 151698693
1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane
CID 151731223
2-(1,1,2,2,2-Pentafluoroethyl)-3-(2-prop-1-enoxyethyl)oxetane
CID 152039828
3-(1-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 152693083
3-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151187676
2-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151531127

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane (CID 151406869) is 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane is CC(C)=COCCC1COC1C(F)(F)F.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane?
The InChIKey is OXRMMRICCHWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-7(2)5-14-4-3-8-6-15-9(8)10(11,12)13/h5,8-9H,3-4,6H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane?
3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane has a molecular weight of 224.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 151406869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).