2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane

C9H13F3O2 — CID 169226620

IUPAC2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane
SMILESFC(F)(F)/C=C/COC1CCCCO1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)5-3-7-14-8-4-1-2-6-13-8/h3,5,8H,1-2,4,6-7H2/b5-3+
InChIKeyWQCCMNLUFHOJLW-HWKANZROSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds3

About 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane

2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane (PubChem CID 169226620) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane
PubChem CID169226620
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane
SMILESFC(F)(F)/C=C/COC1CCCCO1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)5-3-7-14-8-4-1-2-6-13-8/h3,5,8H,1-2,4,6-7H2/b5-3+
InChIKeyWQCCMNLUFHOJLW-HWKANZROSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Allyloxytetrahydropyran
CID 4532059
(2S)-2-prop-2-enoxyoxane
CID 7033617
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(Z)-3-fluorobut-2-enoxy]oxane
CID 90381677
2-[(E)-3-fluorobut-2-enoxy]oxane
CID 90381688
2-[(Z)-4,4,4-trifluorobut-2-enoxy]oxane
CID 169226637
2-[4-Bromo-2-(trifluoromethyl)but-2-enoxy]oxane
CID 171836002
2-(1,4,4-Trifluorobut-2-enoxy)oxane
CID 175473604
2-[(2E)-2-penten-4-ynyloxy]tetrahydro-2H-pyran
CID 11030189
2-[(Z)-4-iodobut-2-enoxy]oxane
CID 11335032
2-[(E)-4-iodobut-2-enoxy]oxane
CID 23048303
2-[(2E)-penta-2,4-dienoxy]-tetrahydro-pyran
CID 24977138

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane?
The IUPAC name of 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane (CID 169226620) is 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane is FC(F)(F)/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane?
The InChIKey is WQCCMNLUFHOJLW-HWKANZROSA-N. The full InChI is InChI=1S/C9H13F3O2/c10-9(11,12)5-3-7-14-8-4-1-2-6-13-8/h3,5,8H,1-2,4,6-7H2/b5-3+.
What are the key properties of 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane?
2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane has a molecular weight of 210.19 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane is sourced from PubChem (CID 169226620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).