[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate

C10H10F6O6 — CID 102282327

IUPAC[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate
SMILESO=C(OC/C=C\COC(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C10H10F6O6/c11-9(12,13)5-21-7(17)19-3-1-2-4-20-8(18)22-6-10(14,15)16/h1-2H,3-6H2/b2-1-
InChIKeyUAXZQVDFTYSEHX-UPHRSURJSA-N
MW340.17 g/mol
LogP2.97
Rot. Bonds6

About [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate

[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate (PubChem CID 102282327) has the molecular formula C10H10F6O6 and a molecular weight of 340.17 g/mol. Its IUPAC name is [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Name[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate
PubChem CID102282327
Molecular FormulaC10H10F6O6
Molecular Weight340.17 g/mol
Exact Mass340.04
IUPAC Name[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate
SMILESO=C(OC/C=C\COC(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C10H10F6O6/c11-9(12,13)5-21-7(17)19-3-1-2-4-20-8(18)22-6-10(14,15)16/h1-2H,3-6H2/b2-1-
InChIKeyUAXZQVDFTYSEHX-UPHRSURJSA-N
XLogP2.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
CID 5462778
2,2,2-trifluoroethyl 3-hydroxy-2,2-bis(hydroxymethyl)propanoate
CID 139170506
2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate
CID 134247680
bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate
CID 139329509
bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 24867806
[(Z)-3-(1-hydroxycyclobutyl)hept-2-enyl] 2,2,2-trifluoroethyl carbonate
CID 101123820
[(Z)-3-(1-hydroxycyclobutyl)-3-phenylprop-2-enyl] 2,2,2-trifluoroethyl carbonate
CID 101123824
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
CID 18939209
2,2,2-trifluoroethyl (Z)-3-aminobut-2-enoate
CID 19107499
[(E)-4-carbonochloridoyloxybut-2-enyl] carbonochloridate
CID 18913356
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,2-trifluoroethyl 2-bromo-2-fluoroacetate
CID 162536281

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate?
The IUPAC name of [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate (CID 102282327) is [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate is O=C(OC/C=C\COC(=O)OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate?
The InChIKey is UAXZQVDFTYSEHX-UPHRSURJSA-N. The full InChI is InChI=1S/C10H10F6O6/c11-9(12,13)5-21-7(17)19-3-1-2-4-20-8(18)22-6-10(14,15)16/h1-2H,3-6H2/b2-1-.
What are the key properties of [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate?
[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate has a molecular weight of 340.17 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 102282327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).