diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium

C11H21F3N+ — CID 54504163

IUPACdiethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
SMILESCC[N+](C)(CC)CC=CCCC(F)(F)F
InChIInChI=1S/C11H21F3N/c1-4-15(3,5-2)10-8-6-7-9-11(12,13)14/h6,8H,4-5,7,9-10H2,1-3H3/q+1
InChIKeyQHOBXMQIDLTPLL-UHFFFAOYSA-N
MW224.29 g/mol
LogP3.37
Rot. Bonds6

About diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium

diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium (PubChem CID 54504163) has the molecular formula C11H21F3N+ and a molecular weight of 224.29 g/mol. Its IUPAC name is diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
PubChem CID54504163
Molecular FormulaC11H21F3N+
Molecular Weight224.29 g/mol
Exact Mass224.16
IUPAC Namediethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
SMILESCC[N+](C)(CC)CC=CCCC(F)(F)F
InChIInChI=1S/C11H21F3N/c1-4-15(3,5-2)10-8-6-7-9-11(12,13)14/h6,8H,4-5,7,9-10H2,1-3H3/q+1
InChIKeyQHOBXMQIDLTPLL-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium?
The IUPAC name of diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium (CID 54504163) is diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium.
What is the SMILES notation for diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium?
The canonical SMILES for diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium is CC[N+](C)(CC)CC=CCCC(F)(F)F.
What is the InChIKey of diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium?
The InChIKey is QHOBXMQIDLTPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N/c1-4-15(3,5-2)10-8-6-7-9-11(12,13)14/h6,8H,4-5,7,9-10H2,1-3H3/q+1.
What are the key properties of diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium?
diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium has a molecular weight of 224.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium is sourced from PubChem (CID 54504163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).