3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H21F3N2O — CID 55164954

IUPAC3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)6-17(8-12(13,14)15)10(18)11(3)4-5-16-7-11/h9,16H,4-8H2,1-3H3
InChIKeyYZJWFPDTULINEF-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.03
Rot. Bonds4

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

3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55164954) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55164954
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)6-17(8-12(13,14)15)10(18)11(3)4-5-16-7-11/h9,16H,4-8H2,1-3H3
InChIKeyYZJWFPDTULINEF-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55164954) is 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YZJWFPDTULINEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)6-17(8-12(13,14)15)10(18)11(3)4-5-16-7-11/h9,16H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55164954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).