2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane

C6H6F4O2 — CID 87924656

IUPAC2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
SMILESF/C(=C/OCC1CO1)C(F)(F)F
InChIInChI=1S/C6H6F4O2/c7-5(6(8,9)10)3-11-1-4-2-12-4/h3-4H,1-2H2/b5-3+
InChIKeyNTAFQAUUVJDTBJ-HWKANZROSA-N
MW186.10 g/mol
LogP1.77
Rot. Bonds3

About 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane

2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane (PubChem CID 87924656) has the molecular formula C6H6F4O2 and a molecular weight of 186.10 g/mol. Its IUPAC name is 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
PubChem CID87924656
Molecular FormulaC6H6F4O2
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Name2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
SMILESF/C(=C/OCC1CO1)C(F)(F)F
InChIInChI=1S/C6H6F4O2/c7-5(6(8,9)10)3-11-1-4-2-12-4/h3-4H,1-2H2/b5-3+
InChIKeyNTAFQAUUVJDTBJ-HWKANZROSA-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-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane (CID 87924656) is 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane is F/C(=C/OCC1CO1)C(F)(F)F.
What is the InChIKey of 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
The InChIKey is NTAFQAUUVJDTBJ-HWKANZROSA-N. The full InChI is InChI=1S/C6H6F4O2/c7-5(6(8,9)10)3-11-1-4-2-12-4/h3-4H,1-2H2/b5-3+.
What are the key properties of 2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]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-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane is sourced from PubChem (CID 87924656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).