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

C9H13F3O2 — CID 150355616

IUPAC2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
SMILESCC(C)=COCC1CC(C(F)(F)F)O1
InChIInChI=1S/C9H13F3O2/c1-6(2)4-13-5-7-3-8(14-7)9(10,11)12/h4,7-8H,3,5H2,1-2H3
InChIKeyGUQQBHNUBAFKOC-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds3

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

2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane (PubChem CID 150355616) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
PubChem CID150355616
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
SMILESCC(C)=COCC1CC(C(F)(F)F)O1
InChIInChI=1S/C9H13F3O2/c1-6(2)4-13-5-7-3-8(14-7)9(10,11)12/h4,7-8H,3,5H2,1-2H3
InChIKeyGUQQBHNUBAFKOC-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

2,3,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150035645
2-[(2-Ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane
CID 151062717
2-[2-(Trifluoromethyl)but-1-enoxymethyl]oxetane
CID 151158435
2,2,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151317514
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
2-(1-Prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane
CID 151780996
2-(Prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 151829132
2-(2-Methylprop-1-enoxymethyl)-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150591151
3,3-Difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane
CID 159424119
2-(Methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
CID 159682421

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane (CID 150355616) is 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane is CC(C)=COCC1CC(C(F)(F)F)O1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
The InChIKey is GUQQBHNUBAFKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-6(2)4-13-5-7-3-8(14-7)9(10,11)12/h4,7-8H,3,5H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane?
2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane is sourced from PubChem (CID 150355616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).