[2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate

C18H10F14O4 — CID 23544898

IUPAC[2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(=O)C(=C)C)(C3(F)F)C2(F)F
InChIInChI=1S/C18H10F14O4/c1-5(2)7(33)35-11-14(23,24)9(19)13(21,22)10(20,15(11,25)26)17(29,30)12(16(9,27)28,18(11,31)32)36-8(34)6(3)4/h1,3H2,2,4H3
InChIKeyMYGFQZKJGAUBPA-UHFFFAOYSA-N
MW556.25 g/mol
LogP4.97
Rot. Bonds4

About [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate

[2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate (PubChem CID 23544898) has the molecular formula C18H10F14O4 and a molecular weight of 556.25 g/mol. Its IUPAC name is [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate
PubChem CID23544898
Molecular FormulaC18H10F14O4
Molecular Weight556.25 g/mol
Exact Mass556.04
IUPAC Name[2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(=O)C(=C)C)(C3(F)F)C2(F)F
InChIInChI=1S/C18H10F14O4/c1-5(2)7(33)35-11-14(23,24)9(19)13(21,22)10(20,15(11,25)26)17(29,30)12(16(9,27)28,18(11,31)32)36-8(34)6(3)4/h1,3H2,2,4H3
InChIKeyMYGFQZKJGAUBPA-UHFFFAOYSA-N
XLogP4.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.25
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 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

Frequently Asked Questions

What is the IUPAC name of [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate?
The IUPAC name of [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate (CID 23544898) is [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(=O)C(=C)C)(C3(F)F)C2(F)F.
What is the InChIKey of [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate?
The InChIKey is MYGFQZKJGAUBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F14O4/c1-5(2)7(33)35-11-14(23,24)9(19)13(21,22)10(20,15(11,25)26)17(29,30)12(16(9,27)28,18(11,31)32)36-8(34)6(3)4/h1,3H2,2,4H3.
What are the key properties of [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate?
[2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate has a molecular weight of 556.25 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate is sourced from PubChem (CID 23544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).