2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium

C10H15F3N+ — CID 123139499

IUPAC2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
SMILESCCC1=C(C(F)(F)F)C=C(C)[N+]1(C)C
InChIInChI=1S/C10H15F3N/c1-5-9-8(10(11,12)13)6-7(2)14(9,3)4/h6H,5H2,1-4H3/q+1
InChIKeyIEYICRRQDDGUDP-UHFFFAOYSA-N
MW206.23 g/mol
LogP3.21
Rot. Bonds1

About 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium

2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium (PubChem CID 123139499) has the molecular formula C10H15F3N+ and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium.

Molecular Properties

Compound Name2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
PubChem CID123139499
Molecular FormulaC10H15F3N+
Molecular Weight206.23 g/mol
Exact Mass206.12
IUPAC Name2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
SMILESCCC1=C(C(F)(F)F)C=C(C)[N+]1(C)C
InChIInChI=1S/C10H15F3N/c1-5-9-8(10(11,12)13)6-7(2)14(9,3)4/h6H,5H2,1-4H3/q+1
InChIKeyIEYICRRQDDGUDP-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,3-Trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole
CID 18940148
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
CID 129041662
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 142451897

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium?
The IUPAC name of 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium (CID 123139499) is 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium.
What is the SMILES notation for 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium?
The canonical SMILES for 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium is CCC1=C(C(F)(F)F)C=C(C)[N+]1(C)C.
What is the InChIKey of 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium?
The InChIKey is IEYICRRQDDGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N/c1-5-9-8(10(11,12)13)6-7(2)14(9,3)4/h6H,5H2,1-4H3/q+1.
What are the key properties of 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium?
2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium has a molecular weight of 206.23 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium is sourced from PubChem (CID 123139499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).