bis(1-fluoroprop-2-enyl) oxalate

C8H8F2O4 — CID 174444690

IUPACbis(1-fluoroprop-2-enyl) oxalate
SMILESC=CC(F)OC(=O)C(=O)OC(F)C=C
InChIInChI=1S/C8H8F2O4/c1-3-5(9)13-7(11)8(12)14-6(10)4-2/h3-6H,1-2H2
InChIKeyLTMYSLXZEUOQTF-UHFFFAOYSA-N
MW206.14 g/mol
LogP1.04
Rot. Bonds4

About bis(1-fluoroprop-2-enyl) oxalate

bis(1-fluoroprop-2-enyl) oxalate (PubChem CID 174444690) has the molecular formula C8H8F2O4 and a molecular weight of 206.14 g/mol. Its IUPAC name is bis(1-fluoroprop-2-enyl) oxalate.

Molecular Properties

Compound Namebis(1-fluoroprop-2-enyl) oxalate
PubChem CID174444690
Molecular FormulaC8H8F2O4
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Namebis(1-fluoroprop-2-enyl) oxalate
SMILESC=CC(F)OC(=O)C(=O)OC(F)C=C
InChIInChI=1S/C8H8F2O4/c1-3-5(9)13-7(11)8(12)14-6(10)4-2/h3-6H,1-2H2
InChIKeyLTMYSLXZEUOQTF-UHFFFAOYSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
penta-1,4-dien-3-yl 2-oxoacetate
CID 54056796
3-chlorosulfinyloxy-3-fluoroprop-1-ene
CID 121364749
lithium 1-fluoroprop-2-enyl sulfate
CID 175344175
2-(1-fluoroprop-2-enoxy)ethanol
CID 173423917
propan-2-yl (2R)-2-ethylbut-3-enoate
CID 101242272
azane;2-fluorobut-3-enoic acid
CID 173159919
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
difluoromethyl 2-oxoacetate
CID 175833317
1-chloroprop-2-enyl 2-chloro-2-oxoacetate
CID 88690212
penta-1,4-dien-3-yl carbamate
CID 55284689
1-hydroxyprop-2-enyl hydrogen carbonate
CID 87136419

Frequently Asked Questions

What is the IUPAC name of bis(1-fluoroprop-2-enyl) oxalate?
The IUPAC name of bis(1-fluoroprop-2-enyl) oxalate (CID 174444690) is bis(1-fluoroprop-2-enyl) oxalate.
What is the SMILES notation for bis(1-fluoroprop-2-enyl) oxalate?
The canonical SMILES for bis(1-fluoroprop-2-enyl) oxalate is C=CC(F)OC(=O)C(=O)OC(F)C=C.
What is the InChIKey of bis(1-fluoroprop-2-enyl) oxalate?
The InChIKey is LTMYSLXZEUOQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O4/c1-3-5(9)13-7(11)8(12)14-6(10)4-2/h3-6H,1-2H2.
What are the key properties of bis(1-fluoroprop-2-enyl) oxalate?
bis(1-fluoroprop-2-enyl) oxalate has a molecular weight of 206.14 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoroprop-2-enyl) oxalate is sourced from PubChem (CID 174444690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).