cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate

C10H18F3NO2 — CID 89463850

IUPACcyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate
SMILESC[NH+](C)C1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-9(2)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyQLWNYHGTRMOQGV-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.24
Rot. Bonds1

About cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate

cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate (PubChem CID 89463850) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate
PubChem CID89463850
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Namecyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate
SMILESC[NH+](C)C1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-9(2)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyQLWNYHGTRMOQGV-UHFFFAOYSA-N
XLogP-0.24
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate (CID 89463850) is cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate is C[NH+](C)C1CCCCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate?
The InChIKey is QLWNYHGTRMOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-9(2)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7).
What are the key properties of cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate?
cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate has a molecular weight of 241.25 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 89463850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).