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

C14H14F8O2 — CID 20761249

IUPAC(8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCCC1(OC(C)=O)CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C14H14F8O2/c1-3-9(24-6(2)23)5-7-4-8(9)11(16)10(7,15)12(17,18)14(21,22)13(11,19)20/h7-8H,3-5H2,1-2H3
InChIKeyAVVWJODJTAKAQQ-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.07
Rot. Bonds2

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

(8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate (PubChem CID 20761249) has the molecular formula C14H14F8O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate.

Molecular Properties

Compound Name(8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
PubChem CID20761249
Molecular FormulaC14H14F8O2
Molecular Weight366.25 g/mol
Exact Mass366.09
IUPAC Name(8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCCC1(OC(C)=O)CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C14H14F8O2/c1-3-9(24-6(2)23)5-7-4-8(9)11(16)10(7,15)12(17,18)14(21,22)13(11,19)20/h7-8H,3-5H2,1-2H3
InChIKeyAVVWJODJTAKAQQ-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The IUPAC name of (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate (CID 20761249) is (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate.
What is the SMILES notation for (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The canonical SMILES for (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate is CCC1(OC(C)=O)CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F.
What is the InChIKey of (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The InChIKey is AVVWJODJTAKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F8O2/c1-3-9(24-6(2)23)5-7-4-8(9)11(16)10(7,15)12(17,18)14(21,22)13(11,19)20/h7-8H,3-5H2,1-2H3.
What are the key properties of (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate?
(8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate has a molecular weight of 366.25 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate is sourced from PubChem (CID 20761249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).