(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C11H19F3N2O2 — CID 99799741

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)O[C@@H]1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-8-4-5-16(6-8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyYVZCAEIGPDIOCH-MRVPVSSYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds2

About (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 99799741) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID99799741
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)O[C@@H]1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-8-4-5-16(6-8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyYVZCAEIGPDIOCH-MRVPVSSYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 99799741) is (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC(C)(C)O[C@@H]1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is YVZCAEIGPDIOCH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-8-4-5-16(6-8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)/t8-/m1/s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99799741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).