2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate

C11H7F11O3 — CID 141293561

IUPAC2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
SMILESC=COCCOC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H7F11O3/c1-2-24-3-4-25-5(23)6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h2H,1,3-4H2
InChIKeyZSJQXTOVWQNGBD-UHFFFAOYSA-N
MW396.15 g/mol
LogP3.59
Rot. Bonds5

About 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate

2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate (PubChem CID 141293561) has the molecular formula C11H7F11O3 and a molecular weight of 396.15 g/mol. Its IUPAC name is 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
PubChem CID141293561
Molecular FormulaC11H7F11O3
Molecular Weight396.15 g/mol
Exact Mass396.02
IUPAC Name2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
SMILESC=COCCOC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H7F11O3/c1-2-24-3-4-25-5(23)6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h2H,1,3-4H2
InChIKeyZSJQXTOVWQNGBD-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropanoyloxy)ethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 90159965
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2-ethenoxyethyl 2-methylprop-2-enoate
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2-ethenoxyethyl 3-oxobutanoate
CID 23370733
tris(2-ethenoxyethyl) cyclohexane-1,3,5-tricarboxylate
CID 58220517
1-ethenoxy-2-methoxyethane
CID 15457
2-ethenoxyethyl 2,2-dimethylbutanoate
CID 21026949
O-(2-ethenoxyethyl) ethanethioate
CID 139637370
2-aminoacetic acid;2-ethenoxyethanamine
CID 174772659
2-O,3-O,4-O,5-O,6-O-pentakis(2-ethenoxyethyl) 1-O-(2-ethoxyethyl) cyclohexane-1,2,3,4,5,6-hexacarboxylate
CID 149463478
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 175561109

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
The IUPAC name of 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate (CID 141293561) is 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate.
What is the SMILES notation for 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
The canonical SMILES for 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate is C=COCCOC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
The InChIKey is ZSJQXTOVWQNGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F11O3/c1-2-24-3-4-25-5(23)6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h2H,1,3-4H2.
What are the key properties of 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate has a molecular weight of 396.15 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate is sourced from PubChem (CID 141293561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).