di(propan-2-yl)azanium;2,2,2-trifluoroacetate

C8H16F3NO2 — CID 71673337

IUPACdi(propan-2-yl)azanium;2,2,2-trifluoroacetate
SMILESCC(C)[NH2+]C(C)C.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-5(2)7-6(3)4;3-2(4,5)1(6)7/h5-7H,1-4H3;(H,6,7)
InChIKeyRTLCITOIBQXPPP-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.33
Rot. Bonds2

About di(propan-2-yl)azanium;2,2,2-trifluoroacetate

di(propan-2-yl)azanium;2,2,2-trifluoroacetate (PubChem CID 71673337) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is di(propan-2-yl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedi(propan-2-yl)azanium;2,2,2-trifluoroacetate
PubChem CID71673337
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Namedi(propan-2-yl)azanium;2,2,2-trifluoroacetate
SMILESCC(C)[NH2+]C(C)C.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-5(2)7-6(3)4;3-2(4,5)1(6)7/h5-7H,1-4H3;(H,6,7)
InChIKeyRTLCITOIBQXPPP-UHFFFAOYSA-N
XLogP-0.33
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of di(propan-2-yl)azanium;2,2,2-trifluoroacetate (CID 71673337) is di(propan-2-yl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for di(propan-2-yl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for di(propan-2-yl)azanium;2,2,2-trifluoroacetate is CC(C)[NH2+]C(C)C.O=C([O-])C(F)(F)F.
What is the InChIKey of di(propan-2-yl)azanium;2,2,2-trifluoroacetate?
The InChIKey is RTLCITOIBQXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O2/c1-5(2)7-6(3)4;3-2(4,5)1(6)7/h5-7H,1-4H3;(H,6,7).
What are the key properties of di(propan-2-yl)azanium;2,2,2-trifluoroacetate?
di(propan-2-yl)azanium;2,2,2-trifluoroacetate has a molecular weight of 215.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 71673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).