2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane

C11H16F4O2 — CID 158595662

IUPAC2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane
SMILESC=C(C)C.FC1(F)OC(CCC2CO2)C1(F)F
InChIInChI=1S/C7H8F4O2.C4H8/c8-6(9)5(13-7(6,10)11)2-1-4-3-12-4;1-4(2)3/h4-5H,1-3H2;1H2,2-3H3
InChIKeyHUZPKPQWRCWXBX-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.37
Rot. Bonds3

About 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane

2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane (PubChem CID 158595662) has the molecular formula C11H16F4O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane.

Molecular Properties

Compound Name2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane
PubChem CID158595662
Molecular FormulaC11H16F4O2
Molecular Weight256.24 g/mol
Exact Mass256.11
IUPAC Name2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane
SMILESC=C(C)C.FC1(F)OC(CCC2CO2)C1(F)F
InChIInChI=1S/C7H8F4O2.C4H8/c8-6(9)5(13-7(6,10)11)2-1-4-3-12-4;1-4(2)3/h4-5H,1-3H2;1H2,2-3H3
InChIKeyHUZPKPQWRCWXBX-UHFFFAOYSA-N
XLogP3.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150477532
2-(2-Ethoxyethyl)-3-(2,2,3,3,3-pentafluoropropyl)oxirane;2-methylprop-1-ene
CID 159980517

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane?
The IUPAC name of 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane (CID 158595662) is 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane.
What is the SMILES notation for 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane?
The canonical SMILES for 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane is C=C(C)C.FC1(F)OC(CCC2CO2)C1(F)F.
What is the InChIKey of 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane?
The InChIKey is HUZPKPQWRCWXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2.C4H8/c8-6(9)5(13-7(6,10)11)2-1-4-3-12-4;1-4(2)3/h4-5H,1-3H2;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane?
2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane has a molecular weight of 256.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane is sourced from PubChem (CID 158595662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).