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

C9H13F3O2 — CID 152693083

IUPAC3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
SMILESCC=COC(C)C1COC1C(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-3-4-13-6(2)7-5-14-8(7)9(10,11)12/h3-4,6-8H,5H2,1-2H3
InChIKeyZPZDQGTZZXWJPU-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.50
Rot. Bonds3

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

3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane (PubChem CID 152693083) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
PubChem CID152693083
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
SMILESCC=COC(C)C1COC1C(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-3-4-13-6(2)7-5-14-8(7)9(10,11)12/h3-4,6-8H,5H2,1-2H3
InChIKeyZPZDQGTZZXWJPU-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

3-(2-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 150116824
2-(1,1,2,2,2-Pentafluoroethyl)-3-(prop-1-enoxymethyl)oxetane
CID 150514793
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
2-(1,1,2,2,2-Pentafluoroethyl)-3-(2-prop-1-enoxyethyl)oxetane
CID 152039828
3-(Prop-1-enoxymethyl)-2-(trifluoromethyl)oxetane
CID 152332459
3-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151187676
2-Methyl-3-(prop-1-enoxymethyl)oxetane
CID 150708331

Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane (CID 152693083) is 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane is CC=COC(C)C1COC1C(F)(F)F.
What is the InChIKey of 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The InChIKey is ZPZDQGTZZXWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-3-4-13-6(2)7-5-14-8(7)9(10,11)12/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 152693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).