[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate

C16H11F11O5 — CID 140514702

IUPAC[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
SMILESC=CC(=O)OC1(F)CC2(OC(=O)C=C)C(F)(F)C(F)(CF)C(F)(F)C(O)(C1(F)F)C2(F)F
InChIInChI=1S/C16H11F11O5/c1-3-7(28)31-10-5-11(19,32-8(29)4-2)16(26,27)12(30,15(10,24)25)14(22,23)9(18,6-17)13(10,20)21/h3-4,30H,1-2,5-6H2
InChIKeyYQSGULKKDOZEFC-UHFFFAOYSA-N
MW492.24 g/mol
LogP3.22
Rot. Bonds5

About [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate

[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate (PubChem CID 140514702) has the molecular formula C16H11F11O5 and a molecular weight of 492.24 g/mol. Its IUPAC name is [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate.

Molecular Properties

Compound Name[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
PubChem CID140514702
Molecular FormulaC16H11F11O5
Molecular Weight492.24 g/mol
Exact Mass492.04
IUPAC Name[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
SMILESC=CC(=O)OC1(F)CC2(OC(=O)C=C)C(F)(F)C(F)(CF)C(F)(F)C(O)(C1(F)F)C2(F)F
InChIInChI=1S/C16H11F11O5/c1-3-7(28)31-10-5-11(19,32-8(29)4-2)16(26,27)12(30,15(10,24)25)14(22,23)9(18,6-17)13(10,20)21/h3-4,30H,1-2,5-6H2
InChIKeyYQSGULKKDOZEFC-UHFFFAOYSA-N
XLogP3.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate with MolForge

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Related Compounds

[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5,7-di(prop-2-enoyloxy)-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
CID 140514705
[1,3,3,4,4,5,6,6,7-nonafluoro-5,7-bis(fluoromethyl)cyclooctyl] prop-2-enoate;[1,3,4,4,5,6,6,7-octafluoro-3,5-bis(fluoromethyl)-7-hydroxycyclooctyl] prop-2-enoate;dihydrofluoride
CID 91248378
[2,2,4,4,6,6,8,8,9,9,10,10-dodecafluoro-3-hydroxy-5,7-di(prop-2-enoyloxy)-1-adamantyl] prop-2-enoate
CID 89354552
[2,2,3,4,4,6,6,8,8,9,9-undecafluoro-7-(fluoromethyl)-7-hydroxy-3,5-di(prop-2-enoyloxy)-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
CID 140514714
[3-(2-fluoroacetyl)oxy-1-adamantyl] prop-2-enoate
CID 88577519
[3,3,4,4,6,6,7,9,9-nonafluoro-7-(fluoromethyl)-1-bicyclo[3.3.1]nonanyl] prop-2-enoate;dihydrofluoride
CID 91583217
[2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexyl] prop-2-enoate
CID 99769778
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate
CID 154537210
(3-ethoxy-5,7-dimethyl-1-adamantyl) prop-2-enoate
CID 58013619
(5-fluoro-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734807
(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 57103499

Frequently Asked Questions

What is the IUPAC name of [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
The IUPAC name of [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate (CID 140514702) is [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate.
What is the SMILES notation for [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
The canonical SMILES for [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate is C=CC(=O)OC1(F)CC2(OC(=O)C=C)C(F)(F)C(F)(CF)C(F)(F)C(O)(C1(F)F)C2(F)F.
What is the InChIKey of [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
The InChIKey is YQSGULKKDOZEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F11O5/c1-3-7(28)31-10-5-11(19,32-8(29)4-2)16(26,27)12(30,15(10,24)25)14(22,23)9(18,6-17)13(10,20)21/h3-4,30H,1-2,5-6H2.
What are the key properties of [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
[2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate has a molecular weight of 492.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,4,4,6,6,7,9,9-decafluoro-3-(fluoromethyl)-5-hydroxy-7-prop-2-enoyloxy-1-bicyclo[3.3.1]nonanyl] prop-2-enoate is sourced from PubChem (CID 140514702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).