2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate

C26H34F14N2O10S2 — CID 157371173

IUPAC2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)OCCNS(=O)(=O)CCC(F)(C(F)(F)F)C(F)(F)F.O=S(=O)(CCC(F)(C(F)(F)F)C(F)(F)F)NCCO
InChIInChI=1S/C11H14F7NO4S.C8H10O3.C7H10F7NO3S/c1-7(2)8(20)23-5-4-19-24(21,22)6-3-9(12,10(13,14)15)11(16,17)18;1-5(2)7(9)11-8(10)6(3)4;8-5(6(9,10)11,7(12,13)14)1-4-19(17,18)15-2-3-16/h19H,1,3-6H2,2H3;1,3H2,2,4H3;15-16H,1-4H2
InChIKeyBJTZIXBJCYIJDL-UHFFFAOYSA-N
MW864.67 g/mol
LogP4.58
Rot. Bonds16

About 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate

2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 157371173) has the molecular formula C26H34F14N2O10S2 and a molecular weight of 864.67 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate
PubChem CID157371173
Molecular FormulaC26H34F14N2O10S2
Molecular Weight864.67 g/mol
Exact Mass864.14
IUPAC Name2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)OCCNS(=O)(=O)CCC(F)(C(F)(F)F)C(F)(F)F.O=S(=O)(CCC(F)(C(F)(F)F)C(F)(F)F)NCCO
InChIInChI=1S/C11H14F7NO4S.C8H10O3.C7H10F7NO3S/c1-7(2)8(20)23-5-4-19-24(21,22)6-3-9(12,10(13,14)15)11(16,17)18;1-5(2)7(9)11-8(10)6(3)4;8-5(6(9,10)11,7(12,13)14)1-4-19(17,18)15-2-3-16/h19H,1,3-6H2,2H3;1,3H2,2,4H3;15-16H,1-4H2
InChIKeyBJTZIXBJCYIJDL-UHFFFAOYSA-N
XLogP4.58
TPSA182.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500864.67
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptyl]sulfonylamino]ethyl 2-methylprop-2-enoate
CID 59689371
2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride
CID 159629889
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
CID 88911957
[3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
CID 135351657
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
3-(2-methylprop-2-enoyloxy)propylsulfonyl-(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 170776197
[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethylsulfonyl)hexyl] 2-methylprop-2-enoate
CID 122423662
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
sodium 3-(2-methylprop-2-enoyloxy)propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 162420868
(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl 2-methylprop-2-enoate
CID 88560044
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
2-[6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptyl]sulfonylethyl 2-methylprop-2-enoate
CID 59689350

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate (CID 157371173) is 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)OCCNS(=O)(=O)CCC(F)(C(F)(F)F)C(F)(F)F.O=S(=O)(CCC(F)(C(F)(F)F)C(F)(F)F)NCCO.
What is the InChIKey of 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is BJTZIXBJCYIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F7NO4S.C8H10O3.C7H10F7NO3S/c1-7(2)8(20)23-5-4-19-24(21,22)6-3-9(12,10(13,14)15)11(16,17)18;1-5(2)7(9)11-8(10)6(3)4;8-5(6(9,10)11,7(12,13)14)1-4-19(17,18)15-2-3-16/h19H,1,3-6H2,2H3;1,3H2,2,4H3;15-16H,1-4H2.
What are the key properties of 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate?
2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 864.67 g/mol, XLogP of 4.58, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-methylprop-2-enoate;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 157371173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).