2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate

C13H14F2O8 — CID 155053299

IUPAC2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate
SMILESC=C(F)COC(=O)C(=O)OCC/C=C(\F)COC(=O)C(=O)OC
InChIInChI=1S/C13H14F2O8/c1-8(14)6-22-13(19)12(18)21-5-3-4-9(15)7-23-11(17)10(16)20-2/h4H,1,3,5-7H2,2H3/b9-4-
InChIKeyHWZMTGKRUYSDQM-WTKPLQERSA-N
MW336.24 g/mol
LogP0.52
Rot. Bonds7

About 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate

2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate (PubChem CID 155053299) has the molecular formula C13H14F2O8 and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate
PubChem CID155053299
Molecular FormulaC13H14F2O8
Molecular Weight336.24 g/mol
Exact Mass336.07
IUPAC Name2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate
SMILESC=C(F)COC(=O)C(=O)OCC/C=C(\F)COC(=O)C(=O)OC
InChIInChI=1S/C13H14F2O8/c1-8(14)6-22-13(19)12(18)21-5-3-4-9(15)7-23-11(17)10(16)20-2/h4H,1,3,5-7H2,2H3/b9-4-
InChIKeyHWZMTGKRUYSDQM-WTKPLQERSA-N
XLogP0.52
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl 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

1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate
CID 155053272
1-O-methyl 2-O-(3-methylbut-3-enyl) oxalate
CID 155640793
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
dimethyl oxalate
CID 11120
1-O-methyl 6-O-propyl (Z)-2,5-dimethylidenehex-3-enedioate
CID 140963717
(2-methoxy-2-oxoethyl) 2-methylidenebutanoate
CID 137398094
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
1-O-ethyl 2-O-(3-fluoro-2-methylidenebut-3-enyl) oxalate
CID 155053306
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
2-aminoethyl 2-(methoxymethyl)prop-2-enoate
CID 174463853

Frequently Asked Questions

What is the IUPAC name of 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate?
The IUPAC name of 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate (CID 155053299) is 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate.
What is the SMILES notation for 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate?
The canonical SMILES for 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate is C=C(F)COC(=O)C(=O)OCC/C=C(\F)COC(=O)C(=O)OC.
What is the InChIKey of 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate?
The InChIKey is HWZMTGKRUYSDQM-WTKPLQERSA-N. The full InChI is InChI=1S/C13H14F2O8/c1-8(14)6-22-13(19)12(18)21-5-3-4-9(15)7-23-11(17)10(16)20-2/h4H,1,3,5-7H2,2H3/b9-4-.
What are the key properties of 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate?
2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate has a molecular weight of 336.24 g/mol, XLogP of 0.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate is sourced from PubChem (CID 155053299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).