potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate

C4H7F3KNO — CID 23704112

IUPACpotassium 1-(dimethylamino)-2,2,2-trifluoroethanolate
SMILESCN(C)C([O-])C(F)(F)F.[K+]
InChIInChI=1S/C4H7F3NO.K/c1-8(2)3(9)4(5,6)7;/h3H,1-2H3;/q-1;+1
InChIKeyRRBHRRBHTVJGKV-UHFFFAOYSA-N
MW181.20 g/mol
LogP-3.20
Rot. Bonds1

About potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate

potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate (PubChem CID 23704112) has the molecular formula C4H7F3KNO and a molecular weight of 181.20 g/mol. Its IUPAC name is potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate.

Molecular Properties

Compound Namepotassium 1-(dimethylamino)-2,2,2-trifluoroethanolate
PubChem CID23704112
Molecular FormulaC4H7F3KNO
Molecular Weight181.20 g/mol
Exact Mass181.01
IUPAC Namepotassium 1-(dimethylamino)-2,2,2-trifluoroethanolate
SMILESCN(C)C([O-])C(F)(F)F.[K+]
InChIInChI=1S/C4H7F3NO.K/c1-8(2)3(9)4(5,6)7;/h3H,1-2H3;/q-1;+1
InChIKeyRRBHRRBHTVJGKV-UHFFFAOYSA-N
XLogP-3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-3.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate?
The IUPAC name of potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate (CID 23704112) is potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate.
What is the SMILES notation for potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate?
The canonical SMILES for potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate is CN(C)C([O-])C(F)(F)F.[K+].
What is the InChIKey of potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate?
The InChIKey is RRBHRRBHTVJGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3NO.K/c1-8(2)3(9)4(5,6)7;/h3H,1-2H3;/q-1;+1.
What are the key properties of potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate?
potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate has a molecular weight of 181.20 g/mol, XLogP of -3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate is sourced from PubChem (CID 23704112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).