dipentylazanium;2,2,2-trifluoroacetate

C12H24F3NO2 — CID 71673338

IUPACdipentylazanium;2,2,2-trifluoroacetate
SMILESCCCCC[NH2+]CCCCC.O=C([O-])C(F)(F)F
InChIInChI=1S/C10H23N.C2HF3O2/c1-3-5-7-9-11-10-8-6-4-2;3-2(4,5)1(6)7/h11H,3-10H2,1-2H3;(H,6,7)
InChIKeySUSJFHUZIVDBNJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds8

About dipentylazanium;2,2,2-trifluoroacetate

dipentylazanium;2,2,2-trifluoroacetate (PubChem CID 71673338) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is dipentylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedipentylazanium;2,2,2-trifluoroacetate
PubChem CID71673338
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Namedipentylazanium;2,2,2-trifluoroacetate
SMILESCCCCC[NH2+]CCCCC.O=C([O-])C(F)(F)F
InChIInChI=1S/C10H23N.C2HF3O2/c1-3-5-7-9-11-10-8-6-4-2;3-2(4,5)1(6)7/h11H,3-10H2,1-2H3;(H,6,7)
InChIKeySUSJFHUZIVDBNJ-UHFFFAOYSA-N
XLogP1.23
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
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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Related Compounds

Dibutylamine Trifluoroacetate
CID 85784713
Triethylammonium trifluoroacetate
CID 21903048
Dipropylammonium Trifluoroacetate
CID 71345163
Dibutylammonium-trifluoracetat
CID 129658577
N-Hexylhexan-1-aminium acetate
CID 44630082
Piperidinium trifluoroacetate
CID 66865399
N-methylpiperidinium trifluoroacetate
CID 67268366
Diisopropylammonium 2,2,2-trifluoroacetate
CID 71673337
Hexylammonium-trifluoracetat
CID 87345999
Azepanium trifluoroacetate
CID 134716166
Dipropylammonium-trifluor-acetat
CID 71673336
Azepan-1-ium-2,3,4,5-d4 2,2,2-trifluoroacete
CID 172418708

Frequently Asked Questions

What is the IUPAC name of dipentylazanium;2,2,2-trifluoroacetate?
The IUPAC name of dipentylazanium;2,2,2-trifluoroacetate (CID 71673338) is dipentylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for dipentylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for dipentylazanium;2,2,2-trifluoroacetate is CCCCC[NH2+]CCCCC.O=C([O-])C(F)(F)F.
What is the InChIKey of dipentylazanium;2,2,2-trifluoroacetate?
The InChIKey is SUSJFHUZIVDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2HF3O2/c1-3-5-7-9-11-10-8-6-4-2;3-2(4,5)1(6)7/h11H,3-10H2,1-2H3;(H,6,7).
What are the key properties of dipentylazanium;2,2,2-trifluoroacetate?
dipentylazanium;2,2,2-trifluoroacetate has a molecular weight of 271.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipentylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 71673338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).