2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate

C8H8F6O4 — CID 134996384

IUPAC2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate
SMILESC/C=C(\OC(F)(F)F)C(=O)OCCOC(F)(F)F
InChIInChI=1S/C8H8F6O4/c1-2-5(18-8(12,13)14)6(15)16-3-4-17-7(9,10)11/h2H,3-4H2,1H3/b5-2-
InChIKeyOFFLHXYOJVJOFN-DJWKRKHSSA-N
MW282.14 g/mol
LogP2.51
Rot. Bonds5

About 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate

2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate (PubChem CID 134996384) has the molecular formula C8H8F6O4 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate
PubChem CID134996384
Molecular FormulaC8H8F6O4
Molecular Weight282.14 g/mol
Exact Mass282.03
IUPAC Name2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate
SMILESC/C=C(\OC(F)(F)F)C(=O)OCCOC(F)(F)F
InChIInChI=1S/C8H8F6O4/c1-2-5(18-8(12,13)14)6(15)16-3-4-17-7(9,10)11/h2H,3-4H2,1H3/b5-2-
InChIKeyOFFLHXYOJVJOFN-DJWKRKHSSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl (E)-2-(2,2,2-trifluoroethoxy)but-2-enedioate
CID 10944587
diethyl (E)-2-ethoxybut-2-enedioate
CID 6376033
Methyl 6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxylate
CID 10846191
4H-Pyran-2-carboxylic acid, 4-oxo-6-(trifluoromethyl)-, ethyl ester
CID 16766595
2-(Trifluoromethoxy)ethyl 3-methyl-2-(trifluoromethoxy)but-2-enoate
CID 134932235
2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)pent-2-enoate
CID 134932606
diethyl (Z)-2-ethoxybut-2-enedioate
CID 5937960
Diethyl 2-oxobutanedioate Sodium salt
CID 54719417
Ethyl 5,6-dihydro-2-trifluoromethyl-1,4-dioxin-3-carboxylate
CID 10704412
2,2,3,3,3-Pentafluoropropyl 2-ethoxyprop-2-enoate
CID 53737776
Ethyl 3-acetyloxy-4,4,4-trifluorobut-2-enoate
CID 54221654
Ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate
CID 57291815

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate?
The IUPAC name of 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate (CID 134996384) is 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate.
What is the SMILES notation for 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate?
The canonical SMILES for 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate is C/C=C(\OC(F)(F)F)C(=O)OCCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate?
The InChIKey is OFFLHXYOJVJOFN-DJWKRKHSSA-N. The full InChI is InChI=1S/C8H8F6O4/c1-2-5(18-8(12,13)14)6(15)16-3-4-17-7(9,10)11/h2H,3-4H2,1H3/b5-2-.
What are the key properties of 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate?
2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate has a molecular weight of 282.14 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate is sourced from PubChem (CID 134996384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).