triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium

C13H15F7N+ — CID 158335368

IUPACtriethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium
SMILESCC[N+](CC)(CC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H15F7N/c1-4-21(5-2,6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3/q+1
InChIKeyQQDORDOOLYAJOO-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.63
Rot. Bonds4

About triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium

triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium (PubChem CID 158335368) has the molecular formula C13H15F7N+ and a molecular weight of 318.26 g/mol. Its IUPAC name is triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Nametriethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium
PubChem CID158335368
Molecular FormulaC13H15F7N+
Molecular Weight318.26 g/mol
Exact Mass318.11
IUPAC Nametriethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium
SMILESCC[N+](CC)(CC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H15F7N/c1-4-21(5-2,6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3/q+1
InChIKeyQQDORDOOLYAJOO-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium?
The IUPAC name of triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium (CID 158335368) is triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium is CC[N+](CC)(CC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium?
The InChIKey is QQDORDOOLYAJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F7N/c1-4-21(5-2,6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3/q+1.
What are the key properties of triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium?
triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium has a molecular weight of 318.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 158335368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).