hexylazanium;2,2,2-trifluoroacetate

C8H16F3NO2 — CID 87345999

IUPAChexylazanium;2,2,2-trifluoroacetate
SMILESCCCCCC[NH3+].O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-2-3-4-5-6-7;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeyDOEVLVVINZENNO-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.11
Rot. Bonds4

About hexylazanium;2,2,2-trifluoroacetate

hexylazanium;2,2,2-trifluoroacetate (PubChem CID 87345999) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is hexylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namehexylazanium;2,2,2-trifluoroacetate
PubChem CID87345999
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Namehexylazanium;2,2,2-trifluoroacetate
SMILESCCCCCC[NH3+].O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-2-3-4-5-6-7;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeyDOEVLVVINZENNO-UHFFFAOYSA-N
XLogP0.11
TPSA67.77 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 ≤ 50.11
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 hexylazanium;2,2,2-trifluoroacetate?
The IUPAC name of hexylazanium;2,2,2-trifluoroacetate (CID 87345999) is hexylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for hexylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for hexylazanium;2,2,2-trifluoroacetate is CCCCCC[NH3+].O=C([O-])C(F)(F)F.
What is the InChIKey of hexylazanium;2,2,2-trifluoroacetate?
The InChIKey is DOEVLVVINZENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O2/c1-2-3-4-5-6-7;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7).
What are the key properties of hexylazanium;2,2,2-trifluoroacetate?
hexylazanium;2,2,2-trifluoroacetate has a molecular weight of 215.21 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 87345999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).