potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde

C8H14F3KN2O — CID 166144532

IUPACpotassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde
SMILESCN1CC(F)(F)C(F)(C=O)C1.C[N-]C.[K+]
InChIInChI=1S/C6H8F3NO.C2H6N.K/c1-10-2-5(7,4-11)6(8,9)3-10;1-3-2;/h4H,2-3H2,1H3;1-2H3;/q;-1;+1
InChIKeyYVRURHLPRRISSP-UHFFFAOYSA-N
MW250.30 g/mol
LogP-1.90
Rot. Bonds1

About potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde

potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde (PubChem CID 166144532) has the molecular formula C8H14F3KN2O and a molecular weight of 250.30 g/mol. Its IUPAC name is potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Namepotassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde
PubChem CID166144532
Molecular FormulaC8H14F3KN2O
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Namepotassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde
SMILESCN1CC(F)(F)C(F)(C=O)C1.C[N-]C.[K+]
InChIInChI=1S/C6H8F3NO.C2H6N.K/c1-10-2-5(7,4-11)6(8,9)3-10;1-3-2;/h4H,2-3H2,1H3;1-2H3;/q;-1;+1
InChIKeyYVRURHLPRRISSP-UHFFFAOYSA-N
XLogP-1.90
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-fluoro-1-methylpyrrolidine-3-carbaldehyde
CID 58473039
Ethane;1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
CID 156736470
(3R)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 176059997
4-Fluoro-1-methylpyrrolidine-3-carbaldehyde
CID 76797063
1-(2,2-Difluoroethyl)pyrrolidine-3-carbaldehyde
CID 84651508
1-(3,3-Difluoropropyl)pyrrolidine-3-carbaldehyde
CID 84655876
1-(2,2-Difluoropropyl)pyrrolidine-3-carbaldehyde
CID 84655878
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
1-(3,3-Difluorobutyl)pyrrolidine-3-carbaldehyde
CID 84663164
1-(3,3,3-Trifluoropropyl)pyrrolidine-3-carbaldehyde
CID 84665894
1-Methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
CID 156736471
3,4,4-Trifluoro-1-methylpyrrolidine-3-carbaldehyde
CID 166144533

Frequently Asked Questions

What is the IUPAC name of potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde?
The IUPAC name of potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde (CID 166144532) is potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde?
The canonical SMILES for potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde is CN1CC(F)(F)C(F)(C=O)C1.C[N-]C.[K+].
What is the InChIKey of potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde?
The InChIKey is YVRURHLPRRISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.C2H6N.K/c1-10-2-5(7,4-11)6(8,9)3-10;1-3-2;/h4H,2-3H2,1H3;1-2H3;/q;-1;+1.
What are the key properties of potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde?
potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of -1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dimethylazanide;3,4,4-trifluoro-1-methylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 166144532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).