ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate

C10H12F5NO3 — CID 12647424

IUPACethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO3/c1-2-19-7(17)6-4-3-5-16(6)8(18)9(11,12)10(13,14)15/h6H,2-5H2,1H3
InChIKeyAJXXYHNJFLEKCQ-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.74
Rot. Bonds3

About ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate

ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate (PubChem CID 12647424) has the molecular formula C10H12F5NO3 and a molecular weight of 289.20 g/mol. Its IUPAC name is ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
PubChem CID12647424
Molecular FormulaC10H12F5NO3
Molecular Weight289.20 g/mol
Exact Mass289.07
IUPAC Nameethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO3/c1-2-19-7(17)6-4-3-5-16(6)8(18)9(11,12)10(13,14)15/h6H,2-5H2,1H3
InChIKeyAJXXYHNJFLEKCQ-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate (CID 12647424) is ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is AJXXYHNJFLEKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5NO3/c1-2-19-7(17)6-4-3-5-16(6)8(18)9(11,12)10(13,14)15/h6H,2-5H2,1H3.
What are the key properties of ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 289.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 12647424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).