2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate

C17H16F12O6S2 — CID 162752842

IUPAC2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)SCCOC(=O)C=C
InChIInChI=1S/C17H16F12O6S2/c1-3-9(30)32-5-7-36-13(20,21)11(18)34-16(26,27)15(24,25)17(28,29)35-12(19)14(22,23)37-8-6-33-10(31)4-2/h3-4,11-12H,1-2,5-8H2
InChIKeyWULYUOADYKKGNT-UHFFFAOYSA-N
MW608.42 g/mol
LogP5.54
Rot. Bonds18

About 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate

2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate (PubChem CID 162752842) has the molecular formula C17H16F12O6S2 and a molecular weight of 608.42 g/mol. Its IUPAC name is 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate
PubChem CID162752842
Molecular FormulaC17H16F12O6S2
Molecular Weight608.42 g/mol
Exact Mass608.02
IUPAC Name2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)SCCOC(=O)C=C
InChIInChI=1S/C17H16F12O6S2/c1-3-9(30)32-5-7-36-13(20,21)11(18)34-16(26,27)15(24,25)17(28,29)35-12(19)14(22,23)37-8-6-33-10(31)4-2/h3-4,11-12H,1-2,5-8H2
InChIKeyWULYUOADYKKGNT-UHFFFAOYSA-N
XLogP5.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate with MolForge

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Related Compounds

CID 132245749
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CID 58177522
CID 58177522
CID 58177523
CID 58177523
CID 58177526
CID 58177526
CID 59689367
CID 59689367
CID 86074671
CID 86074671
CID 89029631
CID 89029631
CID 89289946
CID 89289946
CID 89294877
CID 89294877
CID 126648682
CID 126648682

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate?
The IUPAC name of 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate (CID 162752842) is 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate.
What is the SMILES notation for 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate?
The canonical SMILES for 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate is C=CC(=O)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)SCCOC(=O)C=C.
What is the InChIKey of 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate?
The InChIKey is WULYUOADYKKGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F12O6S2/c1-3-9(30)32-5-7-36-13(20,21)11(18)34-16(26,27)15(24,25)17(28,29)35-12(19)14(22,23)37-8-6-33-10(31)4-2/h3-4,11-12H,1-2,5-8H2.
What are the key properties of 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate?
2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate has a molecular weight of 608.42 g/mol, XLogP of 5.54, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate is sourced from PubChem (CID 162752842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).