dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate

C14H22F3NO2 — CID 158332311

IUPACdimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate
SMILESC[NH+](C)C1CC2CC1C1CCCC21.O=C([O-])C(F)(F)F
InChIInChI=1S/C12H21N.C2HF3O2/c1-13(2)12-7-8-6-11(12)10-5-3-4-9(8)10;3-2(4,5)1(6)7/h8-12H,3-7H2,1-2H3;(H,6,7)
InChIKeyXQFNJWOXGUMUFY-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.25
Rot. Bonds1

About dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate

dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate (PubChem CID 158332311) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate
PubChem CID158332311
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Namedimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate
SMILESC[NH+](C)C1CC2CC1C1CCCC21.O=C([O-])C(F)(F)F
InChIInChI=1S/C12H21N.C2HF3O2/c1-13(2)12-7-8-6-11(12)10-5-3-4-9(8)10;3-2(4,5)1(6)7/h8-12H,3-7H2,1-2H3;(H,6,7)
InChIKeyXQFNJWOXGUMUFY-UHFFFAOYSA-N
XLogP0.25
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate (CID 158332311) is dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate is C[NH+](C)C1CC2CC1C1CCCC21.O=C([O-])C(F)(F)F.
What is the InChIKey of dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate?
The InChIKey is XQFNJWOXGUMUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C2HF3O2/c1-13(2)12-7-8-6-11(12)10-5-3-4-9(8)10;3-2(4,5)1(6)7/h8-12H,3-7H2,1-2H3;(H,6,7).
What are the key properties of dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate?
dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate has a molecular weight of 293.33 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 158332311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).