dipropylazanium;2,2,2-trifluoroacetate

C8H16F3NO2 — CID 71673336

IUPACdipropylazanium;2,2,2-trifluoroacetate
SMILESCCC[NH2+]CCC.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyVFAIRCAZEYFUCB-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.33
Rot. Bonds4

About dipropylazanium;2,2,2-trifluoroacetate

dipropylazanium;2,2,2-trifluoroacetate (PubChem CID 71673336) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is dipropylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedipropylazanium;2,2,2-trifluoroacetate
PubChem CID71673336
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Namedipropylazanium;2,2,2-trifluoroacetate
SMILESCCC[NH2+]CCC.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyVFAIRCAZEYFUCB-UHFFFAOYSA-N
XLogP-0.33
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropylazanium;2,2,2-trifluoroacetate?
The IUPAC name of dipropylazanium;2,2,2-trifluoroacetate (CID 71673336) is dipropylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for dipropylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for dipropylazanium;2,2,2-trifluoroacetate is CCC[NH2+]CCC.O=C([O-])C(F)(F)F.
What is the InChIKey of dipropylazanium;2,2,2-trifluoroacetate?
The InChIKey is VFAIRCAZEYFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7).
What are the key properties of dipropylazanium;2,2,2-trifluoroacetate?
dipropylazanium;2,2,2-trifluoroacetate has a molecular weight of 215.21 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 71673336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).