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

C9H13F3O2 — CID 150035645

IUPAC2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1OC(F)C1(F)F
InChIInChI=1S/C9H13F3O2/c1-6(2)5-13-4-3-7-9(11,12)8(10)14-7/h5,7-8H,3-4H2,1-2H3
InChIKeyDIETZIMSQMTOFE-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds4

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

2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 150035645) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID150035645
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1OC(F)C1(F)F
InChIInChI=1S/C9H13F3O2/c1-6(2)5-13-4-3-7-9(11,12)8(10)14-7/h5,7-8H,3-4H2,1-2H3
InChIKeyDIETZIMSQMTOFE-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-Difluoro-2-(2-prop-1-enoxyethyl)oxetane
CID 150007912
2,4-Difluoro-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150190710
2,3-Difluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150198232
2-[2-(2-Ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane
CID 150253257
2-(2-Methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 150355616
2-[2-(2-Methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
CID 150377319
2-[2-(2-Methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150477532
2-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150846152
2,3-Difluoro-2-(2-prop-1-enoxyethyl)oxetane
CID 151089497
2,2,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151317514
2,2,3,3-Tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151646928
2,3-Difluoro-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151998660

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 150035645) is 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1OC(F)C1(F)F.
What is the InChIKey of 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is DIETZIMSQMTOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-6(2)5-13-4-3-7-9(11,12)8(10)14-7/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150035645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).