(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide

C14H23F3N2O2 — CID 90063146

IUPAC(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-19-7-3-6-12(19)13(20)18-10-4-2-5-11(8-10)21-9-14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)/t10?,11?,12-/m0/s1
InChIKeyKNSWQESIXFIMBL-MCIGGMRASA-N
MW308.34 g/mol
LogP2.09
Rot. Bonds4

About (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 90063146) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID90063146
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-19-7-3-6-12(19)13(20)18-10-4-2-5-11(8-10)21-9-14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)/t10?,11?,12-/m0/s1
InChIKeyKNSWQESIXFIMBL-MCIGGMRASA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide (CID 90063146) is (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is KNSWQESIXFIMBL-MCIGGMRASA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-19-7-3-6-12(19)13(20)18-10-4-2-5-11(8-10)21-9-14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90063146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).