dicyclohexylazanium;2,2,2-trifluoroacetate

C14H24F3NO2 — CID 42884663

IUPACdicyclohexylazanium;2,2,2-trifluoroacetate
SMILESC1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C12H23N.C2HF3O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11-13H,1-10H2;(H,6,7)
InChIKeyRNTRKRXLUUYBHE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.51
Rot. Bonds2

About dicyclohexylazanium;2,2,2-trifluoroacetate

dicyclohexylazanium;2,2,2-trifluoroacetate (PubChem CID 42884663) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is dicyclohexylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedicyclohexylazanium;2,2,2-trifluoroacetate
PubChem CID42884663
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Namedicyclohexylazanium;2,2,2-trifluoroacetate
SMILESC1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C12H23N.C2HF3O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11-13H,1-10H2;(H,6,7)
InChIKeyRNTRKRXLUUYBHE-UHFFFAOYSA-N
XLogP1.51
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dicyclohexylazanium;2,2,2-trifluoroacetate?
The IUPAC name of dicyclohexylazanium;2,2,2-trifluoroacetate (CID 42884663) is dicyclohexylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for dicyclohexylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for dicyclohexylazanium;2,2,2-trifluoroacetate is C1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])C(F)(F)F.
What is the InChIKey of dicyclohexylazanium;2,2,2-trifluoroacetate?
The InChIKey is RNTRKRXLUUYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2HF3O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11-13H,1-10H2;(H,6,7).
What are the key properties of dicyclohexylazanium;2,2,2-trifluoroacetate?
dicyclohexylazanium;2,2,2-trifluoroacetate has a molecular weight of 295.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 42884663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).