(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate

C14H12F8O2 — CID 22088759

IUPAC(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C14H12F8O2/c1-5(2)9(23)24-8-4-6-3-7(8)11(16)10(6,15)12(17,18)14(21,22)13(11,19)20/h6-8H,1,3-4H2,2H3
InChIKeyNIMCBAKGDBXXME-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.85
Rot. Bonds2

About (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate

(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (PubChem CID 22088759) has the molecular formula C14H12F8O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
PubChem CID22088759
Molecular FormulaC14H12F8O2
Molecular Weight364.23 g/mol
Exact Mass364.07
IUPAC Name(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C14H12F8O2/c1-5(2)9(23)24-8-4-6-3-7(8)11(16)10(6,15)12(17,18)14(21,22)13(11,19)20/h6-8H,1,3-4H2,2H3
InChIKeyNIMCBAKGDBXXME-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The IUPAC name of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (CID 22088759) is (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F.
What is the InChIKey of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The InChIKey is NIMCBAKGDBXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F8O2/c1-5(2)9(23)24-8-4-6-3-7(8)11(16)10(6,15)12(17,18)14(21,22)13(11,19)20/h6-8H,1,3-4H2,2H3.
What are the key properties of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate has a molecular weight of 364.23 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22088759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).