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

C13H21F3N2O2 — CID 61155301

IUPAC(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)[C@@H]1CCCN1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-20-10-4-1-3-9(7-10)18-12(19)11-5-2-6-17-11/h9-11,17H,1-8H2,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyZVOVUYXIGJZFNJ-ILDUYXDCSA-N
MW294.32 g/mol
LogP1.74
Rot. Bonds4

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

(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 61155301) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID61155301
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)[C@@H]1CCCN1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-20-10-4-1-3-9(7-10)18-12(19)11-5-2-6-17-11/h9-11,17H,1-8H2,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyZVOVUYXIGJZFNJ-ILDUYXDCSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide (CID 61155301) is (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide is O=C(NC1CCCC(OCC(F)(F)F)C1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is ZVOVUYXIGJZFNJ-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)8-20-10-4-1-3-9(7-10)18-12(19)11-5-2-6-17-11/h9-11,17H,1-8H2,(H,18,19)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61155301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).