trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium

C4F12N+ — CID 87372234

IUPACtrifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)F
InChIInChI=1S/C4F12N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/q+1
InChIKeyXNLXQMHGIJLQEQ-UHFFFAOYSA-N
MW290.03 g/mol
LogP3.88
Rot. Bonds3

About trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium

trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium (PubChem CID 87372234) has the molecular formula C4F12N+ and a molecular weight of 290.03 g/mol. Its IUPAC name is trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium.

Molecular Properties

Compound Nametrifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium
PubChem CID87372234
Molecular FormulaC4F12N+
Molecular Weight290.03 g/mol
Exact Mass289.98
IUPAC Nametrifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)F
InChIInChI=1S/C4F12N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/q+1
InChIKeyXNLXQMHGIJLQEQ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.03
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium?
The IUPAC name of trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium (CID 87372234) is trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium.
What is the SMILES notation for trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium?
The canonical SMILES for trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)F.
What is the InChIKey of trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium?
The InChIKey is XNLXQMHGIJLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F12N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/q+1.
What are the key properties of trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium?
trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium has a molecular weight of 290.03 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium is sourced from PubChem (CID 87372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).