3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane

C9H13F3O2 — CID 150116824

IUPAC3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
SMILESCC=COCCC1COC1C(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-2-4-13-5-3-7-6-14-8(7)9(10,11)12/h2,4,7-8H,3,5-6H2,1H3
InChIKeyDYKNRGBHKWIPIB-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.50
Rot. Bonds4

About 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane

3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane (PubChem CID 150116824) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
PubChem CID150116824
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
SMILESCC=COCCC1COC1C(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-2-4-13-5-3-7-6-14-8(7)9(10,11)12/h2,4,7-8H,3,5-6H2,1H3
InChIKeyDYKNRGBHKWIPIB-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.50
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-prop-1-enoxyethyl)oxetane
CID 149621071
2-(1,1,2,2,2-Pentafluoroethyl)-3-(prop-1-enoxymethyl)oxetane
CID 150514793
2,2-Difluoro-3-(2-prop-1-enoxyethyl)oxetane
CID 150963075
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
1-(2-Prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane
CID 151522029
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 151698693
2-(Prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 151829132
2-(1,1,2,2,2-Pentafluoroethyl)-3-(2-prop-1-enoxyethyl)oxetane
CID 152039828
3-(Prop-1-enoxymethyl)-2-(trifluoromethyl)oxetane
CID 152332459
1-(1,1,2,2,2-Pentafluoroethoxy)-2-(2-prop-1-enoxyethyl)cyclobutane
CID 152459962
3-(1-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 152693083
3-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151187676

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane (CID 150116824) is 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane is CC=COCCC1COC1C(F)(F)F.
What is the InChIKey of 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The InChIKey is DYKNRGBHKWIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-2-4-13-5-3-7-6-14-8(7)9(10,11)12/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 150116824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).