azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate

C12H18F3NO2 — CID 174404217

IUPACazane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
SMILESN.O=C(OC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C12H15F3O2.H3N/c13-12(14,15)11(16)17-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2;1H3
InChIKeyGNPIURCGHPUSMP-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.08
Rot. Bonds1

About azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate

azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate (PubChem CID 174404217) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameazane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
PubChem CID174404217
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Nameazane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
SMILESN.O=C(OC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C12H15F3O2.H3N/c13-12(14,15)11(16)17-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2;1H3
InChIKeyGNPIURCGHPUSMP-UHFFFAOYSA-N
XLogP3.08
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate?
The IUPAC name of azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate (CID 174404217) is azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate.
What is the SMILES notation for azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate?
The canonical SMILES for azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate is N.O=C(OC1CC2CC1C1CCCC21)C(F)(F)F.
What is the InChIKey of azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate?
The InChIKey is GNPIURCGHPUSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2.H3N/c13-12(14,15)11(16)17-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2;1H3.
What are the key properties of azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate?
azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate has a molecular weight of 265.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 174404217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).