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

C6H5BrF4O2 — CID 58612475

IUPAC2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
SMILESF/C(OCC1CO1)=C(/Br)C(F)(F)F
InChIInChI=1S/C6H5BrF4O2/c7-4(6(9,10)11)5(8)13-2-3-1-12-3/h3H,1-2H2/b5-4-
InChIKeyIXODCTIQEYKXLA-PLNGDYQASA-N
MW265.00 g/mol
LogP2.50
Rot. Bonds3

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

2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane (PubChem CID 58612475) has the molecular formula C6H5BrF4O2 and a molecular weight of 265.00 g/mol. Its IUPAC name is 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
PubChem CID58612475
Molecular FormulaC6H5BrF4O2
Molecular Weight265.00 g/mol
Exact Mass263.94
IUPAC Name2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
SMILESF/C(OCC1CO1)=C(/Br)C(F)(F)F
InChIInChI=1S/C6H5BrF4O2/c7-4(6(9,10)11)5(8)13-2-3-1-12-3/h3H,1-2H2/b5-4-
InChIKeyIXODCTIQEYKXLA-PLNGDYQASA-N
XLogP2.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.00
LogP ≤ 52.50
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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Related Compounds

2-[[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612472
2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 58612478
2-(2,3,3,3-Tetrafluoroprop-1-enoxymethyl)oxirane
CID 76837658
2-[(2-Bromo-1,3,3,3-tetrafluoroprop-1-enoxy)methyl]oxirane
CID 76837660
2-Pentafluoropropenyloxymethyl-oxirane
CID 76837663
2-[[(Z)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924476
2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924656
2-[[(Z)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 87924675
2-[(2-Bromo-3,3,3-trifluoroprop-1-enoxy)-fluoromethyl]oxirane
CID 140500956

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane (CID 58612475) is 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane is F/C(OCC1CO1)=C(/Br)C(F)(F)F.
What is the InChIKey of 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
The InChIKey is IXODCTIQEYKXLA-PLNGDYQASA-N. The full InChI is InChI=1S/C6H5BrF4O2/c7-4(6(9,10)11)5(8)13-2-3-1-12-3/h3H,1-2H2/b5-4-.
What are the key properties of 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane?
2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane has a molecular weight of 265.00 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane is sourced from PubChem (CID 58612475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).