2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate

C10H9F8NO3 — CID 91724240

IUPAC2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
SMILESO=C(OCC(F)(F)C(F)(F)F)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H9F8NO3/c11-8(12,10(16,17)18)4-22-6(20)5-2-1-3-19(5)7(21)9(13,14)15/h5H,1-4H2
InChIKeyWUMSDKKXNIAXOC-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.28
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate

2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (PubChem CID 91724240) has the molecular formula C10H9F8NO3 and a molecular weight of 343.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
PubChem CID91724240
Molecular FormulaC10H9F8NO3
Molecular Weight343.17 g/mol
Exact Mass343.05
IUPAC Name2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
SMILESO=C(OCC(F)(F)C(F)(F)F)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H9F8NO3/c11-8(12,10(16,17)18)4-22-6(20)5-2-1-3-19(5)7(21)9(13,14)15/h5H,1-4H2
InChIKeyWUMSDKKXNIAXOC-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 86238608
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 103021763
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
propyl (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 91979210
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
pentyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735081
butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate
CID 601862
ethyl 1-(4,4,4-trifluoro-3-methylbut-2-enoyl)pyrrolidine-2-carboxylate
CID 123554694
nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735083

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (CID 91724240) is 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is O=C(OCC(F)(F)C(F)(F)F)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The InChIKey is WUMSDKKXNIAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F8NO3/c11-8(12,10(16,17)18)4-22-6(20)5-2-1-3-19(5)7(21)9(13,14)15/h5H,1-4H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate has a molecular weight of 343.17 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91724240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).