trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium

C8H16F3N2O+ — CID 130266406

IUPACtrimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
SMILESC[N+](C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-13(2,3)6-4-5-12-7(14)8(9,10)11/h4-6H2,1-3H3/p+1
InChIKeyFSUDBMXXEVTMTI-UHFFFAOYSA-O
MW213.22 g/mol
LogP0.76
Rot. Bonds4

About trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium

trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium (PubChem CID 130266406) has the molecular formula C8H16F3N2O+ and a molecular weight of 213.22 g/mol. Its IUPAC name is trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
PubChem CID130266406
Molecular FormulaC8H16F3N2O+
Molecular Weight213.22 g/mol
Exact Mass213.12
IUPAC Nametrimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
SMILESC[N+](C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-13(2,3)6-4-5-12-7(14)8(9,10)11/h4-6H2,1-3H3/p+1
InChIKeyFSUDBMXXEVTMTI-UHFFFAOYSA-O
XLogP0.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_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 trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
The IUPAC name of trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium (CID 130266406) is trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
The canonical SMILES for trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium is C[N+](C)(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
The InChIKey is FSUDBMXXEVTMTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15F3N2O/c1-13(2,3)6-4-5-12-7(14)8(9,10)11/h4-6H2,1-3H3/p+1.
What are the key properties of trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium has a molecular weight of 213.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium is sourced from PubChem (CID 130266406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).