ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate

C6H3F7O2 — CID 520749

IUPACethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESC=COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H,1H2
InChIKeyCJABYGHRZGXUKQ-UHFFFAOYSA-N
MW240.07 g/mol
LogP2.51
Rot. Bonds3

About ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate

ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 520749) has the molecular formula C6H3F7O2 and a molecular weight of 240.07 g/mol. Its IUPAC name is ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Nameethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID520749
Molecular FormulaC6H3F7O2
Molecular Weight240.07 g/mol
Exact Mass240.00
IUPAC Nameethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESC=COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H,1H2
InChIKeyCJABYGHRZGXUKQ-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 174733583
ethenyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methylideneoctanoate
CID 174856325
(2,2,2-trifluoroacetyl) 2,2,3,3,4,4,4-heptafluorobutanoate
CID 156768944
difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 23234687
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
4-ethenoxybutyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 141293636
ethanol;2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 162534330
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91737730
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid
CID 14492204
2-(2-chloro-2,2-difluoroacetyl)oxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91725228

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 520749) is ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate is C=COC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is CJABYGHRZGXUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H,1H2.
What are the key properties of ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate?
ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 240.07 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 520749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).