trimethyl(1,1,2,2,2-pentafluoroethyl)azanium

C5H9F5N+ — CID 87694541

IUPACtrimethyl(1,1,2,2,2-pentafluoroethyl)azanium
SMILESC[N+](C)(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H9F5N/c1-11(2,3)5(9,10)4(6,7)8/h1-3H3/q+1
InChIKeyVGBDRMMMSGQOKC-UHFFFAOYSA-N
MW178.12 g/mol
LogP1.85
Rot. Bonds1

About trimethyl(1,1,2,2,2-pentafluoroethyl)azanium

trimethyl(1,1,2,2,2-pentafluoroethyl)azanium (PubChem CID 87694541) has the molecular formula C5H9F5N+ and a molecular weight of 178.12 g/mol. Its IUPAC name is trimethyl(1,1,2,2,2-pentafluoroethyl)azanium.

Molecular Properties

Compound Nametrimethyl(1,1,2,2,2-pentafluoroethyl)azanium
PubChem CID87694541
Molecular FormulaC5H9F5N+
Molecular Weight178.12 g/mol
Exact Mass178.06
IUPAC Nametrimethyl(1,1,2,2,2-pentafluoroethyl)azanium
SMILESC[N+](C)(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H9F5N/c1-11(2,3)5(9,10)4(6,7)8/h1-3H3/q+1
InChIKeyVGBDRMMMSGQOKC-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(1,1,2,2,2-pentafluoroethyl)azanium?
The IUPAC name of trimethyl(1,1,2,2,2-pentafluoroethyl)azanium (CID 87694541) is trimethyl(1,1,2,2,2-pentafluoroethyl)azanium.
What is the SMILES notation for trimethyl(1,1,2,2,2-pentafluoroethyl)azanium?
The canonical SMILES for trimethyl(1,1,2,2,2-pentafluoroethyl)azanium is C[N+](C)(C)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl(1,1,2,2,2-pentafluoroethyl)azanium?
The InChIKey is VGBDRMMMSGQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F5N/c1-11(2,3)5(9,10)4(6,7)8/h1-3H3/q+1.
What are the key properties of trimethyl(1,1,2,2,2-pentafluoroethyl)azanium?
trimethyl(1,1,2,2,2-pentafluoroethyl)azanium has a molecular weight of 178.12 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1,1,2,2,2-pentafluoroethyl)azanium is sourced from PubChem (CID 87694541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).