3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate

C74H97F41O8S6 — CID 158048958

IUPAC3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCSCSCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.C=C(C)C(=O)OCCSCCSCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)F.C=C(C)C(=O)OCSCSCCC(F)(F)CC(F)(F)C(F)(F)F.C=CC(=O)CCCCCCCC(F)(F)CC(F)(F)CC(F)(F)F.C=CC(=O)OCCCCCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C17H23F9O2S2.C15H19F9O2.C15H19F9OS2.C15H21F7O.C12H15F7O2S2/c1-12(2)13(27)28-4-6-30-8-7-29-5-3-14(18,19)9-15(20,21)10-16(22,23)11-17(24,25)26;1-2-11(25)26-8-6-4-3-5-7-12(16,17)9-13(18,19)10-14(20,21)15(22,23)24;1-10(2)11(25)3-5-26-9-27-6-4-12(16,17)7-13(18,19)8-14(20,21)15(22,23)24;1-2-12(23)8-6-4-3-5-7-9-13(16,17)10-14(18,19)11-15(20,21)22;1-8(2)9(20)21-6-23-7-22-4-3-10(13,14)5-11(15,16)12(17,18)19/h1,3-11H2,2H3;2H,1,3-10H2;1,3-9H2,2H3;2H,1,3-11H2;1,3-7H2,2H3
InChIKeyFJGDYJFLEFEZGX-UHFFFAOYSA-N
MW2085.90 g/mol
LogP30.28
Rot. Bonds62

About 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate

3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate (PubChem CID 158048958) has the molecular formula C74H97F41O8S6 and a molecular weight of 2085.90 g/mol. Its IUPAC name is 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate
PubChem CID158048958
Molecular FormulaC74H97F41O8S6
Molecular Weight2085.90 g/mol
Exact Mass2084.49
IUPAC Name3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCSCSCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.C=C(C)C(=O)OCCSCCSCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)F.C=C(C)C(=O)OCSCSCCC(F)(F)CC(F)(F)C(F)(F)F.C=CC(=O)CCCCCCCC(F)(F)CC(F)(F)CC(F)(F)F.C=CC(=O)OCCCCCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C17H23F9O2S2.C15H19F9O2.C15H19F9OS2.C15H21F7O.C12H15F7O2S2/c1-12(2)13(27)28-4-6-30-8-7-29-5-3-14(18,19)9-15(20,21)10-16(22,23)11-17(24,25)26;1-2-11(25)26-8-6-4-3-5-7-12(16,17)9-13(18,19)10-14(20,21)15(22,23)24;1-10(2)11(25)3-5-26-9-27-6-4-12(16,17)7-13(18,19)8-14(20,21)15(22,23)24;1-2-12(23)8-6-4-3-5-7-9-13(16,17)10-14(18,19)11-15(20,21)22;1-8(2)9(20)21-6-23-7-22-4-3-10(13,14)5-11(15,16)12(17,18)19/h1,3-11H2,2H3;2H,1,3-10H2;1,3-9H2,2H3;2H,1,3-11H2;1,3-7H2,2H3
InChIKeyFJGDYJFLEFEZGX-UHFFFAOYSA-N
XLogP30.28
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds62
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002085.90
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 158048963
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
CID 158479065
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
5,5,6,6,7,7,8,8,9,9,10,10,11,11,13,13,15,15,16,16,16-henicosafluorohexadecyl prop-2-enoate
CID 175788473
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 10156538
butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate
CID 118106898
10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluorononadecyl prop-2-enoate
CID 175938284
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate (CID 158048958) is 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)CCSCSCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.C=C(C)C(=O)OCCSCCSCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)F.C=C(C)C(=O)OCSCSCCC(F)(F)CC(F)(F)C(F)(F)F.C=CC(=O)CCCCCCCC(F)(F)CC(F)(F)CC(F)(F)F.C=CC(=O)OCCCCCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate?
The InChIKey is FJGDYJFLEFEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F9O2S2.C15H19F9O2.C15H19F9OS2.C15H21F7O.C12H15F7O2S2/c1-12(2)13(27)28-4-6-30-8-7-29-5-3-14(18,19)9-15(20,21)10-16(22,23)11-17(24,25)26;1-2-11(25)26-8-6-4-3-5-7-12(16,17)9-13(18,19)10-14(20,21)15(22,23)24;1-10(2)11(25)3-5-26-9-27-6-4-12(16,17)7-13(18,19)8-14(20,21)15(22,23)24;1-2-12(23)8-6-4-3-5-7-9-13(16,17)10-14(18,19)11-15(20,21)22;1-8(2)9(20)21-6-23-7-22-4-3-10(13,14)5-11(15,16)12(17,18)19/h1,3-11H2,2H3;2H,1,3-10H2;1,3-9H2,2H3;2H,1,3-11H2;1,3-7H2,2H3.
What are the key properties of 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate?
3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate has a molecular weight of 2085.90 g/mol, XLogP of 30.28, 62 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,6,6,6-heptafluorohexylsulfanylmethylsulfanylmethyl 2-methylprop-2-enoate;11,11,13,13,15,15,15-heptafluoropentadec-1-en-3-one;2-methyl-5-(3,3,5,5,7,7,8,8,8-nonafluorooctylsulfanylmethylsulfanyl)pent-1-en-3-one;7,7,9,9,11,11,12,12,12-nonafluorododecyl prop-2-enoate;2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158048958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).