cyclohexylazanium;2,2,2-trifluoroacetate

C8H14F3NO2 — CID 69179131

IUPACcyclohexylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h6H,1-5,7H2;(H,6,7)
InChIKeyGUEYGXWTUFVPOM-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.14
Rot. Bonds

About cyclohexylazanium;2,2,2-trifluoroacetate

cyclohexylazanium;2,2,2-trifluoroacetate (PubChem CID 69179131) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is cyclohexylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecyclohexylazanium;2,2,2-trifluoroacetate
PubChem CID69179131
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namecyclohexylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h6H,1-5,7H2;(H,6,7)
InChIKeyGUEYGXWTUFVPOM-UHFFFAOYSA-N
XLogP-0.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;2,2,2-trifluoroacetate?
The IUPAC name of cyclohexylazanium;2,2,2-trifluoroacetate (CID 69179131) is cyclohexylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for cyclohexylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for cyclohexylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;2,2,2-trifluoroacetate?
The InChIKey is GUEYGXWTUFVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h6H,1-5,7H2;(H,6,7).
What are the key properties of cyclohexylazanium;2,2,2-trifluoroacetate?
cyclohexylazanium;2,2,2-trifluoroacetate has a molecular weight of 213.20 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 69179131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).