2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

C10H15F4NO — CID 103747253

IUPAC2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H15F4NO/c1-6(2)7-3-4-15(5-7)9(16)10(13,14)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyZBCUQIIEWQXDPH-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.39
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 103747253) has the molecular formula C10H15F4NO and a molecular weight of 241.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID103747253
Molecular FormulaC10H15F4NO
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC Name2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H15F4NO/c1-6(2)7-3-4-15(5-7)9(16)10(13,14)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyZBCUQIIEWQXDPH-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.39
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

2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 103803979
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 119484770
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 131070818
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103750070
2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one
CID 103732065
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
CID 115695172

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (CID 103747253) is 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is ZBCUQIIEWQXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO/c1-6(2)7-3-4-15(5-7)9(16)10(13,14)8(11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 241.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 103747253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).