trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium

C10H15F3N3+ — CID 170214356

IUPACtrimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium
SMILESCC(c1nccc(C(F)(F)F)n1)[N+](C)(C)C
InChIInChI=1S/C10H15F3N3/c1-7(16(2,3)4)9-14-6-5-8(15-9)10(11,12)13/h5-7H,1-4H3/q+1
InChIKeyFRWZUXQGOSRWBB-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.26
Rot. Bonds2

About trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium

trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium (PubChem CID 170214356) has the molecular formula C10H15F3N3+ and a molecular weight of 234.25 g/mol. Its IUPAC name is trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium
PubChem CID170214356
Molecular FormulaC10H15F3N3+
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Nametrimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium
SMILESCC(c1nccc(C(F)(F)F)n1)[N+](C)(C)C
InChIInChI=1S/C10H15F3N3/c1-7(16(2,3)4)9-14-6-5-8(15-9)10(11,12)13/h5-7H,1-4H3/q+1
InChIKeyFRWZUXQGOSRWBB-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium?
The IUPAC name of trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium (CID 170214356) is trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium.
What is the SMILES notation for trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium?
The canonical SMILES for trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium is CC(c1nccc(C(F)(F)F)n1)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium?
The InChIKey is FRWZUXQGOSRWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N3/c1-7(16(2,3)4)9-14-6-5-8(15-9)10(11,12)13/h5-7H,1-4H3/q+1.
What are the key properties of trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium?
trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium has a molecular weight of 234.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]azanium is sourced from PubChem (CID 170214356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).