2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane

C8H11F3O2 — CID 151829132

IUPAC2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
SMILESCC=COCC1CC(C(F)(F)F)O1
InChIInChI=1S/C8H11F3O2/c1-2-3-12-5-6-4-7(13-6)8(9,10)11/h2-3,6-7H,4-5H2,1H3
InChIKeySEGOLJRCNDMZEB-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.26
Rot. Bonds3

About 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane

2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane (PubChem CID 151829132) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
PubChem CID151829132
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
SMILESCC=COCC1CC(C(F)(F)F)O1
InChIInChI=1S/C8H11F3O2/c1-2-3-12-5-6-4-7(13-6)8(9,10)11/h2-3,6-7H,4-5H2,1H3
InChIKeySEGOLJRCNDMZEB-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.26
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-(2-Methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 150355616
2-(1-Prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane
CID 151780996
2,3-Difluoro-2-(prop-1-enoxymethyl)oxetane
CID 152469002
3-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151187676
2-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151583021
2-(Methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
CID 159682421

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
The IUPAC name of 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane (CID 151829132) is 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
The canonical SMILES for 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane is CC=COCC1CC(C(F)(F)F)O1.
What is the InChIKey of 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
The InChIKey is SEGOLJRCNDMZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-2-3-12-5-6-4-7(13-6)8(9,10)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane has a molecular weight of 196.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane is sourced from PubChem (CID 151829132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).