(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate

C12H19F3O2Si — CID 155933750

IUPAC(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
SMILESC[Si](C)(C)C1C2CCC(C2)C1OC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2Si/c1-18(2,3)10-8-5-4-7(6-8)9(10)17-11(16)12(13,14)15/h7-10H,4-6H2,1-3H3
InChIKeyFIYYJRPRNOIVHZ-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.60
Rot. Bonds2

About (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate

(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate (PubChem CID 155933750) has the molecular formula C12H19F3O2Si and a molecular weight of 280.36 g/mol. Its IUPAC name is (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
PubChem CID155933750
Molecular FormulaC12H19F3O2Si
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
SMILESC[Si](C)(C)C1C2CCC(C2)C1OC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2Si/c1-18(2,3)10-8-5-4-7(6-8)9(10)17-11(16)12(13,14)15/h7-10H,4-6H2,1-3H3
InChIKeyFIYYJRPRNOIVHZ-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester
CID 548727
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 12594106
exo-Norborneol, pentafluoropropionate
CID 91694330
2-Bicyclo[2.2.1]heptanyl 2-methyl-2-(trifluoromethyl)butanoate
CID 21063663
2-Bicyclo[2.2.1]heptanyl 2-fluoro-2-methylbutanoate
CID 21063664
2-Bicyclo[2.2.1]heptanyl 3-fluoro-2-methylbutanoate
CID 21063665
2-Bicyclo[2.2.1]heptanyl 2,2-difluoroacetate
CID 58225739
(1,3,3,4,5,5,6,6,7,7-Decafluoro-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
CID 58481007
(1,3,4,5,5,6,6,7,7-Nonafluoro-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
CID 59360571
2-Bicyclo[2.2.1]heptanyl 2,2-difluoropropanoate
CID 59602406
(6-Fluoro-2-bicyclo[2.2.1]heptanyl) acetate
CID 89865858
2-Bicyclo[2.2.1]heptanyl 2-fluoropropanoate
CID 90941911

Frequently Asked Questions

What is the IUPAC name of (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The IUPAC name of (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate (CID 155933750) is (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate is C[Si](C)(C)C1C2CCC(C2)C1OC(=O)C(F)(F)F.
What is the InChIKey of (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The InChIKey is FIYYJRPRNOIVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2Si/c1-18(2,3)10-8-5-4-7(6-8)9(10)17-11(16)12(13,14)15/h7-10H,4-6H2,1-3H3.
What are the key properties of (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate has a molecular weight of 280.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 155933750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).