2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane

C6H6F4O2 — CID 71405469

IUPAC2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane
SMILESFC(=CC(F)(F)F)OCC1CO1
InChIInChI=1S/C6H6F4O2/c7-5(1-6(8,9)10)12-3-4-2-11-4/h1,4H,2-3H2
InChIKeyVNWMAJPWODJCSS-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.77
Rot. Bonds3

About 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane

2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane (PubChem CID 71405469) has the molecular formula C6H6F4O2 and a molecular weight of 186.10 g/mol. Its IUPAC name is 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane
PubChem CID71405469
Molecular FormulaC6H6F4O2
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Name2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane
SMILESFC(=CC(F)(F)F)OCC1CO1
InChIInChI=1S/C6H6F4O2/c7-5(1-6(8,9)10)12-3-4-2-11-4/h1,4H,2-3H2
InChIKeyVNWMAJPWODJCSS-UHFFFAOYSA-N
XLogP1.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane?
The IUPAC name of 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane (CID 71405469) is 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane is FC(=CC(F)(F)F)OCC1CO1.
What is the InChIKey of 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane?
The InChIKey is VNWMAJPWODJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O2/c7-5(1-6(8,9)10)12-3-4-2-11-4/h1,4H,2-3H2.
What are the key properties of 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane?
2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane has a molecular weight of 186.10 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3,3-tetrafluoroprop-1-enoxymethyl)oxirane is sourced from PubChem (CID 71405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).