[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate

C23H22F10O4 — CID 159137055

IUPAC[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C=CC(F)(C(C)(C)C2(F)C=CC(OC(=O)C(=C)C)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C23H22F10O4/c1-11(2)15(34)36-13-7-9-18(24,22(30,31)20(13,26)27)17(5,6)19(25)10-8-14(37-16(35)12(3)4)21(28,29)23(19,32)33/h7-10,13-14H,1,3H2,2,4-6H3
InChIKeyKHPXHQPHVKCQTK-UHFFFAOYSA-N
MW552.41 g/mol
LogP6.09
Rot. Bonds6

About [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate

[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate (PubChem CID 159137055) has the molecular formula C23H22F10O4 and a molecular weight of 552.41 g/mol. Its IUPAC name is [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate
PubChem CID159137055
Molecular FormulaC23H22F10O4
Molecular Weight552.41 g/mol
Exact Mass552.14
IUPAC Name[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C=CC(F)(C(C)(C)C2(F)C=CC(OC(=O)C(=C)C)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C23H22F10O4/c1-11(2)15(34)36-13-7-9-18(24,22(30,31)20(13,26)27)17(5,6)19(25)10-8-14(37-16(35)12(3)4)21(28,29)23(19,32)33/h7-10,13-14H,1,3H2,2,4-6H3
InChIKeyKHPXHQPHVKCQTK-UHFFFAOYSA-N
XLogP6.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.41
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate with MolForge

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230505
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate
CID 145067991
2H-oxet-2-yl 2-methylprop-2-enoate
CID 172735399
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016
[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 58819322
2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate
CID 158199846
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
2-adamantyl 2-methylprop-2-enoate
CID 12039948
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
1,1,2-tribromoethyl 2-methylprop-2-enoate
CID 87486491

Frequently Asked Questions

What is the IUPAC name of [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate (CID 159137055) is [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1C=CC(F)(C(C)(C)C2(F)C=CC(OC(=O)C(=C)C)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
The InChIKey is KHPXHQPHVKCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F10O4/c1-11(2)15(34)36-13-7-9-18(24,22(30,31)20(13,26)27)17(5,6)19(25)10-8-14(37-16(35)12(3)4)21(28,29)23(19,32)33/h7-10,13-14H,1,3H2,2,4-6H3.
What are the key properties of [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate has a molecular weight of 552.41 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 159137055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).