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

C12H10F8O2 — CID 20761256

IUPAC(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCC(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C12H10F8O2/c1-4(21)22-7-3-5-2-6(7)9(14)8(5,13)10(15,16)12(19,20)11(9,17)18/h5-7H,2-3H2,1H3
InChIKeyDMBZTHYLLSHBPM-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.29
Rot. Bonds1

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

(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate (PubChem CID 20761256) has the molecular formula C12H10F8O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate.

Molecular Properties

Compound Name(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
PubChem CID20761256
Molecular FormulaC12H10F8O2
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCC(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C12H10F8O2/c1-4(21)22-7-3-5-2-6(7)9(14)8(5,13)10(15,16)12(19,20)11(9,17)18/h5-7H,2-3H2,1H3
InChIKeyDMBZTHYLLSHBPM-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-Methano-1H-inden-5-ol, octahydro-, 5-acetate
CID 85724
(3-Methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate
CID 134222470
Trifluoroacetyl-alpha-fenchol
CID 556853
Trifluoroacetyl-camphenilol
CID 578869
Octahydro-4,7-methano-1H-indenyl acetate
CID 44147412
8-Tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
CID 85907620
(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate
CID 20758447
(8-Ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
CID 20761249
[3,3-Difluoro-2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
CID 21053476
2,3,3,4,5,5,6-Heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
CID 22088754
(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 22088759
(2,3,3,4,4,5,5,6-Octafluoro-8-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate
CID 22088760

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) acetate?
The IUPAC name of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate (CID 20761256) is (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate.
What is the SMILES notation for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The canonical SMILES for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate is CC(=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) acetate?
The InChIKey is DMBZTHYLLSHBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8O2/c1-4(21)22-7-3-5-2-6(7)9(14)8(5,13)10(15,16)12(19,20)11(9,17)18/h5-7H,2-3H2,1H3.
What are the key properties of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate?
(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate has a molecular weight of 338.19 g/mol, XLogP of 3.29, 1 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) acetate is sourced from PubChem (CID 20761256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).