2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one

C7H8F5NO — CID 22922470

IUPAC2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one
SMILESO=C(C1CCCN1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9,7(10,11)12)5(14)4-2-1-3-13-4/h4,13H,1-3H2
InChIKeyUXKQKMKKBJVYHU-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.51
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one

2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 22922470) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one
PubChem CID22922470
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one
SMILESO=C(C1CCCN1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9,7(10,11)12)5(14)4-2-1-3-13-4/h4,13H,1-3H2
InChIKeyUXKQKMKKBJVYHU-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
pyrrolidine-2-carboxylic acid;silver
CID 87701112
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one (CID 22922470) is 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one is O=C(C1CCCN1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one?
The InChIKey is UXKQKMKKBJVYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-6(9,7(10,11)12)5(14)4-2-1-3-13-4/h4,13H,1-3H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one?
2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one has a molecular weight of 217.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 22922470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).