1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate

C8H8F4O4 — CID 155053272

IUPAC1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate
SMILESCOC(=O)C(=O)OC/C(F)=C/CC(F)(F)F
InChIInChI=1S/C8H8F4O4/c1-15-6(13)7(14)16-4-5(9)2-3-8(10,11)12/h2H,3-4H2,1H3/b5-2-
InChIKeyFLEVKBIIZQKWOH-DJWKRKHSSA-N
MW244.14 g/mol
LogP1.51
Rot. Bonds3

About 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate

1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate (PubChem CID 155053272) has the molecular formula C8H8F4O4 and a molecular weight of 244.14 g/mol. Its IUPAC name is 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate.

Molecular Properties

Compound Name1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate
PubChem CID155053272
Molecular FormulaC8H8F4O4
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate
SMILESCOC(=O)C(=O)OC/C(F)=C/CC(F)(F)F
InChIInChI=1S/C8H8F4O4/c1-15-6(13)7(14)16-4-5(9)2-3-8(10,11)12/h2H,3-4H2,1H3/b5-2-
InChIKeyFLEVKBIIZQKWOH-DJWKRKHSSA-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'}

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Related Compounds

2-O-[(Z)-2-fluoro-5-[2-(2-fluoroprop-2-enoxy)-2-oxoacetyl]oxypent-2-enyl] 1-O-methyl oxalate
CID 155053299
1-O-methyl 2-O-[(Z)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-enyl] oxalate
CID 162617390
1-O-ethyl 2-O-(2,5,5-trifluoropent-2-enyl) oxalate
CID 158820523
dimethyl oxalate
CID 11120
methyl 5,5-dimethyl-2-prop-2-enoyloxyhex-2-enoate
CID 174805371
dimethyl (E)-2-(2,2,2-trifluoroethoxy)but-2-enedioate
CID 10944587
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
bis[(E)-6,6,6-trifluorohex-3-enyl] oxalate
CID 162617388
methyl (E)-4,4-dichloro-2,3,4-trifluorobut-2-enoate
CID 15051033
methyl 2-methylprop-2-enoate;5,5,5-trifluoropent-2-enoic acid
CID 87690225
dimethyl oxalate;hydrochloride
CID 172754902
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate?
The IUPAC name of 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate (CID 155053272) is 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate.
What is the SMILES notation for 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate?
The canonical SMILES for 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate is COC(=O)C(=O)OC/C(F)=C/CC(F)(F)F.
What is the InChIKey of 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate?
The InChIKey is FLEVKBIIZQKWOH-DJWKRKHSSA-N. The full InChI is InChI=1S/C8H8F4O4/c1-15-6(13)7(14)16-4-5(9)2-3-8(10,11)12/h2H,3-4H2,1H3/b5-2-.
What are the key properties of 1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate?
1-O-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-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-methyl 2-O-[(Z)-2,5,5,5-tetrafluoropent-2-enyl] oxalate is sourced from PubChem (CID 155053272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).