1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate

C8H8F4O4 — CID 138664702

IUPAC1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate
SMILESCCOC(=O)C(=O)OC/C=C(\F)C(F)(F)F
InChIInChI=1S/C8H8F4O4/c1-2-15-6(13)7(14)16-4-3-5(9)8(10,11)12/h3H,2,4H2,1H3/b5-3-
InChIKeyHILIDBPOXNEGAC-HYXAFXHYSA-N
MW244.14 g/mol
LogP1.51
Rot. Bonds3

About 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate

1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate (PubChem CID 138664702) has the molecular formula C8H8F4O4 and a molecular weight of 244.14 g/mol. Its IUPAC name is 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate.

Molecular Properties

Compound Name1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate
PubChem CID138664702
Molecular FormulaC8H8F4O4
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate
SMILESCCOC(=O)C(=O)OC/C=C(\F)C(F)(F)F
InChIInChI=1S/C8H8F4O4/c1-2-15-6(13)7(14)16-4-3-5(9)8(10,11)12/h3H,2,4H2,1H3/b5-3-
InChIKeyHILIDBPOXNEGAC-HYXAFXHYSA-N
XLogP1.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

U-PFCA(n1) ion
CID 162679438
Dimethyl (E)-2-(2,2,2-trifluoroethoxy)but-2-enedioate
CID 10944587
2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)but-2-enoate
CID 134996384
Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
CID 20802368
Tert-butyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate
CID 60090161
Ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate
CID 87837926
[2-Oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] prop-2-enoate
CID 88573922
[2-(2,2-Difluoropropoxy)-2-oxoethyl] prop-2-enoate
CID 88573927
2,2,2-Trifluoroethyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate
CID 91076129
Methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate
CID 91129881
diethyl (E)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)but-2-enedioate
CID 118049661
ethyl (2S)-2-[(E)-4,4,4-trifluorobut-2-enoxy]propanoate
CID 132241803

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate?
The IUPAC name of 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate (CID 138664702) is 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate.
What is the SMILES notation for 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate?
The canonical SMILES for 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate is CCOC(=O)C(=O)OC/C=C(\F)C(F)(F)F.
What is the InChIKey of 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate?
The InChIKey is HILIDBPOXNEGAC-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H8F4O4/c1-2-15-6(13)7(14)16-4-3-5(9)8(10,11)12/h3H,2,4H2,1H3/b5-3-.
What are the key properties of 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate?
1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate has a molecular weight of 244.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate is sourced from PubChem (CID 138664702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).