ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate

C11H12F7NO3 — CID 86238608

IUPACethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F7NO3/c1-2-22-7(20)6-4-3-5-19(6)8(21)9(12,13)10(14,15)11(16,17)18/h6H,2-5H2,1H3
InChIKeyFDCZUNMXHDNQHK-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.37
Rot. Bonds4

About ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate

ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate (PubChem CID 86238608) has the molecular formula C11H12F7NO3 and a molecular weight of 339.21 g/mol. Its IUPAC name is ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
PubChem CID86238608
Molecular FormulaC11H12F7NO3
Molecular Weight339.21 g/mol
Exact Mass339.07
IUPAC Nameethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F7NO3/c1-2-22-7(20)6-4-3-5-19(6)8(21)9(12,13)10(14,15)11(16,17)18/h6H,2-5H2,1H3
InChIKeyFDCZUNMXHDNQHK-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.37
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

propyl (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 91979210
ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 103021763
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 91724240
ethyl 1-(4,4,4-trifluoro-3-methylbut-2-enoyl)pyrrolidine-2-carboxylate
CID 123554694
pentyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735081
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735083
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate (CID 86238608) is ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate?
The InChIKey is FDCZUNMXHDNQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F7NO3/c1-2-22-7(20)6-4-3-5-19(6)8(21)9(12,13)10(14,15)11(16,17)18/h6H,2-5H2,1H3.
What are the key properties of ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate?
ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate has a molecular weight of 339.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 86238608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).