carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium

C7H11F3NO4+ — CID 130266786

IUPACcarboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium
SMILESC[N+](C)(COC(=O)C(F)(F)F)CC(=O)O
InChIInChI=1S/C7H10F3NO4/c1-11(2,3-5(12)13)4-15-6(14)7(8,9)10/h3-4H2,1-2H3/p+1
InChIKeyDPDQTRRFUMRVIO-UHFFFAOYSA-O
MW230.16 g/mol
LogP0.21
Rot. Bonds4

About carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium

carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium (PubChem CID 130266786) has the molecular formula C7H11F3NO4+ and a molecular weight of 230.16 g/mol. Its IUPAC name is carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium
PubChem CID130266786
Molecular FormulaC7H11F3NO4+
Molecular Weight230.16 g/mol
Exact Mass230.06
IUPAC Namecarboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium
SMILESC[N+](C)(COC(=O)C(F)(F)F)CC(=O)O
InChIInChI=1S/C7H10F3NO4/c1-11(2,3-5(12)13)4-15-6(14)7(8,9)10/h3-4H2,1-2H3/p+1
InChIKeyDPDQTRRFUMRVIO-UHFFFAOYSA-O
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium?
The IUPAC name of carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium (CID 130266786) is carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium.
What is the SMILES notation for carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium?
The canonical SMILES for carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium is C[N+](C)(COC(=O)C(F)(F)F)CC(=O)O.
What is the InChIKey of carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium?
The InChIKey is DPDQTRRFUMRVIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10F3NO4/c1-11(2,3-5(12)13)4-15-6(14)7(8,9)10/h3-4H2,1-2H3/p+1.
What are the key properties of carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium?
carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium has a molecular weight of 230.16 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium is sourced from PubChem (CID 130266786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).