1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one

C9H13F4NO — CID 103733960

IUPAC1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCC1CC(C)N(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C9H13F4NO/c1-5-3-6(2)14(4-5)8(15)9(12,13)7(10)11/h5-7H,3-4H2,1-2H3
InChIKeyXRFVCUFRIRNTQH-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.14
Rot. Bonds2

About 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one

1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 103733960) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID103733960
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCC1CC(C)N(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C9H13F4NO/c1-5-3-6(2)14(4-5)8(15)9(12,13)7(10)11/h5-7H,3-4H2,1-2H3
InChIKeyXRFVCUFRIRNTQH-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
CID 122118908
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one
CID 130711049
CID 23519376
CID 23519376
3-(2,4-dimethylpyrrolidin-1-yl)-2,3-dioxopropanoic acid
CID 130878668
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)butan-1-one
CID 115734693
2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 104876922
1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968533
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103750070
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
CID 103733524
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253
tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one (CID 103733960) is 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one is CC1CC(C)N(C(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is XRFVCUFRIRNTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-5-3-6(2)14(4-5)8(15)9(12,13)7(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 227.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 103733960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).