N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 55227457

IUPACN-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCOCC1
InChIInChI=1S/C12H19F3N2O2/c1-17(9-2-6-19-7-3-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3
InChIKeyYNDPFAGMZBOEAJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227457) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227457
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCOCC1
InChIInChI=1S/C12H19F3N2O2/c1-17(9-2-6-19-7-3-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3
InChIKeyYNDPFAGMZBOEAJ-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227457) is N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C(=O)C1(C(F)(F)F)CCNC1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YNDPFAGMZBOEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-17(9-2-6-19-7-3-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).