2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H19F3N2O — CID 79388128

IUPAC2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N2O/c1-7(2)16(6-11(12,13)14)10(17)9-4-5-15-8(9)3/h7-9,15H,4-6H2,1-3H3
InChIKeyRPPOQYMDEGKTIL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 79388128) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID79388128
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N2O/c1-7(2)16(6-11(12,13)14)10(17)9-4-5-15-8(9)3/h7-9,15H,4-6H2,1-3H3
InChIKeyRPPOQYMDEGKTIL-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 79388128) is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is RPPOQYMDEGKTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(2)16(6-11(12,13)14)10(17)9-4-5-15-8(9)3/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).