2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid

C13H15F5N2O4 — CID 22922479

IUPAC2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C(=O)N1CCCC1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F5N2O4/c14-12(15,13(16,17)18)9(21)7-3-1-5-19(7)10(22)8-4-2-6-20(8)11(23)24/h7-8H,1-6H2,(H,23,24)
InChIKeyBTITYVKIJPCDGH-UHFFFAOYSA-N
MW358.26 g/mol
LogP1.89
Rot. Bonds3

About 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid

2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (PubChem CID 22922479) has the molecular formula C13H15F5N2O4 and a molecular weight of 358.26 g/mol. Its IUPAC name is 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
PubChem CID22922479
Molecular FormulaC13H15F5N2O4
Molecular Weight358.26 g/mol
Exact Mass358.10
IUPAC Name2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C(=O)N1CCCC1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F5N2O4/c14-12(15,13(16,17)18)9(21)7-3-1-5-19(7)10(22)8-4-2-6-20(8)11(23)24/h7-8H,1-6H2,(H,23,24)
InChIKeyBTITYVKIJPCDGH-UHFFFAOYSA-N
XLogP1.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 45259039
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
CID 54033998
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
pentyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735081
nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735083
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
CID 126526083
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (CID 22922479) is 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1C(=O)N1CCCC1C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is BTITYVKIJPCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O4/c14-12(15,13(16,17)18)9(21)7-3-1-5-19(7)10(22)8-4-2-6-20(8)11(23)24/h7-8H,1-6H2,(H,23,24).
What are the key properties of 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 358.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22922479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).