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

C9H12F4O2 — CID 150626666

IUPAC2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1C(F)(F)OC1(F)F
InChIInChI=1S/C9H12F4O2/c1-6(2)5-14-4-3-7-8(10,11)15-9(7,12)13/h5,7H,3-4H2,1-2H3
InChIKeyIXAKVIGVETVDNH-UHFFFAOYSA-N
MW228.18 g/mol
LogP3.15
Rot. Bonds4

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

2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 150626666) has the molecular formula C9H12F4O2 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID150626666
Molecular FormulaC9H12F4O2
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1C(F)(F)OC1(F)F
InChIInChI=1S/C9H12F4O2/c1-6(2)5-14-4-3-7-8(10,11)15-9(7,12)13/h5,7H,3-4H2,1-2H3
InChIKeyIXAKVIGVETVDNH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 150626666) is 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1C(F)(F)OC1(F)F.
What is the InChIKey of 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is IXAKVIGVETVDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O2/c1-6(2)5-14-4-3-7-8(10,11)15-9(7,12)13/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 228.18 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150626666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).