4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one

C8H6F6O4 — CID 154962337

IUPAC4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C=C\C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H6F6O4/c9-7(10,11)2-1-3-17-6(8(12,13)14)4-16-5(15)18-6/h1-2H,3-4H2/b2-1-
InChIKeyBMUGIMRRBLLTNT-UPHRSURJSA-N
MW280.12 g/mol
LogP2.55
Rot. Bonds3

About 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one

4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 154962337) has the molecular formula C8H6F6O4 and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID154962337
Molecular FormulaC8H6F6O4
Molecular Weight280.12 g/mol
Exact Mass280.02
IUPAC Name4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C=C\C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H6F6O4/c9-7(10,11)2-1-3-17-6(8(12,13)14)4-16-5(15)18-6/h1-2H,3-4H2/b2-1-
InChIKeyBMUGIMRRBLLTNT-UPHRSURJSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-Prop-2-enoxy-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667806
4-(3,3-Difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667810
4-(1,1,2,2,2-Pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one
CID 138667820
4-(3,3-Difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667860
4-(2-Fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667863
4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556430
4,5-dimethyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556431
4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556432
4,5-dimethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556434
4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 147307453
4-ethyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 147711400

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 154962337) is 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OCC(OC/C=C\C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is BMUGIMRRBLLTNT-UPHRSURJSA-N. The full InChI is InChI=1S/C8H6F6O4/c9-7(10,11)2-1-3-17-6(8(12,13)14)4-16-5(15)18-6/h1-2H,3-4H2/b2-1-.
What are the key properties of 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 280.12 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4,4,4-trifluorobut-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 154962337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).