4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C11H19F3N2O2 — CID 54871919

IUPAC4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC(O)CN1
InChIInChI=1S/C11H19F3N2O2/c1-7(2)5-16(6-11(12,13)14)10(18)9-3-8(17)4-15-9/h7-9,15,17H,3-6H2,1-2H3
InChIKeySTYWYZWRRBDMNZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds4

About 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 54871919) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID54871919
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC(O)CN1
InChIInChI=1S/C11H19F3N2O2/c1-7(2)5-16(6-11(12,13)14)10(18)9-3-8(17)4-15-9/h7-9,15,17H,3-6H2,1-2H3
InChIKeySTYWYZWRRBDMNZ-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 54871919) is 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is STYWYZWRRBDMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(2)5-16(6-11(12,13)14)10(18)9-3-8(17)4-15-9/h7-9,15,17H,3-6H2,1-2H3.
What are the key properties of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54871919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).