2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane

C9H12F4O2 — CID 151646928

IUPAC2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1OC(F)(F)C1(F)F
InChIInChI=1S/C9H12F4O2/c1-6(2)5-14-4-3-7-8(10,11)9(12,13)15-7/h5,7H,3-4H2,1-2H3
InChIKeyQTSBHUZHQNSQFA-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.94
Rot. Bonds4

About 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane

2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 151646928) has the molecular formula C9H12F4O2 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID151646928
Molecular FormulaC9H12F4O2
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1OC(F)(F)C1(F)F
InChIInChI=1S/C9H12F4O2/c1-6(2)5-14-4-3-7-8(10,11)9(12,13)15-7/h5,7H,3-4H2,1-2H3
InChIKeyQTSBHUZHQNSQFA-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.94
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-1-enoxy)ethylphosphane
CID 151289257
2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604346
1-(2-methylprop-1-enoxy)propan-2-one
CID 12741667
trimethyl-[2-(2-methylprop-1-enoxy)ethoxy]silane
CID 10397612
2-(2-methylprop-1-enoxy)ethanesulfonic acid
CID 150211651
1-(2-methylprop-1-enoxy)heptane
CID 22234809
2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-7-thiabicyclo[2.2.1]heptane
CID 176603460
trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
CID 172695546
2,2-dimethyl-1-(2-methylprop-1-enoxy)propane
CID 22234825
(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
CID 168899282
ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium
CID 160975855
2-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176604977

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 151646928) is 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is QTSBHUZHQNSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O2/c1-6(2)5-14-4-3-7-8(10,11)9(12,13)15-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 228.18 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 151646928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).