triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium

C10H16F6N+ — CID 57026965

IUPACtriethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium
SMILESCC[N+](CC)(CC)C1C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H16F6N/c1-4-17(5-2,6-3)7-8(11,12)10(15,16)9(7,13)14/h7H,4-6H2,1-3H3/q+1
InChIKeyNLNDZOGZORMJSS-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.15
Rot. Bonds4

About triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium

triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium (PubChem CID 57026965) has the molecular formula C10H16F6N+ and a molecular weight of 264.23 g/mol. Its IUPAC name is triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium.

Molecular Properties

Compound Nametriethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium
PubChem CID57026965
Molecular FormulaC10H16F6N+
Molecular Weight264.23 g/mol
Exact Mass264.12
IUPAC Nametriethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium
SMILESCC[N+](CC)(CC)C1C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H16F6N/c1-4-17(5-2,6-3)7-8(11,12)10(15,16)9(7,13)14/h7H,4-6H2,1-3H3/q+1
InChIKeyNLNDZOGZORMJSS-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium?
The IUPAC name of triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium (CID 57026965) is triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium.
What is the SMILES notation for triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium?
The canonical SMILES for triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium is CC[N+](CC)(CC)C1C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium?
The InChIKey is NLNDZOGZORMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N/c1-4-17(5-2,6-3)7-8(11,12)10(15,16)9(7,13)14/h7H,4-6H2,1-3H3/q+1.
What are the key properties of triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium?
triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium has a molecular weight of 264.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2,2,3,3,4,4-hexafluorocyclobutyl)azanium is sourced from PubChem (CID 57026965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).