2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane

C10H13F5O2 — CID 141062650

IUPAC2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCCC=COCC1(C(F)(F)C(F)(F)F)CCO1
InChIInChI=1S/C10H13F5O2/c1-2-3-5-16-7-8(4-6-17-8)9(11,12)10(13,14)15/h3,5H,2,4,6-7H2,1H3
InChIKeyBSCZGDXNYLLQEJ-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.28
Rot. Bonds5

About 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane

2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane (PubChem CID 141062650) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane.

Molecular Properties

Compound Name2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane
PubChem CID141062650
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCCC=COCC1(C(F)(F)C(F)(F)F)CCO1
InChIInChI=1S/C10H13F5O2/c1-2-3-5-16-7-8(4-6-17-8)9(11,12)10(13,14)15/h3,5H,2,4,6-7H2,1H3
InChIKeyBSCZGDXNYLLQEJ-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-But-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 141062653
3-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151187676
2-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151583021

Frequently Asked Questions

What is the IUPAC name of 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The IUPAC name of 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane (CID 141062650) is 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane.
What is the SMILES notation for 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The canonical SMILES for 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane is CCC=COCC1(C(F)(F)C(F)(F)F)CCO1.
What is the InChIKey of 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The InChIKey is BSCZGDXNYLLQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c1-2-3-5-16-7-8(4-6-17-8)9(11,12)10(13,14)15/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane has a molecular weight of 260.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane is sourced from PubChem (CID 141062650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).