1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C10H15F3N2O2 — CID 118681767

IUPAC1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-2-8(16)15-5-3-4-7(15)9(17)14-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyXLDJYOWJIDAYOT-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.07
Rot. Bonds3

About 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 118681767) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID118681767
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-2-8(16)15-5-3-4-7(15)9(17)14-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyXLDJYOWJIDAYOT-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 118681767) is 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCC(=O)N1CCCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is XLDJYOWJIDAYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-8(16)15-5-3-4-7(15)9(17)14-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17).
What are the key properties of 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118681767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).