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

C13H19F3N2O3 — CID 78982699

IUPAC5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2CCCC(OCC(F)(F)F)C2)CN1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)7-21-10-3-1-2-9(5-10)18-12(20)8-4-11(19)17-6-8/h8-10H,1-7H2,(H,17,19)(H,18,20)
InChIKeyVOHTXWLYEKAKRR-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.13
Rot. Bonds4

About 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide

5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 78982699) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID78982699
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2CCCC(OCC(F)(F)F)C2)CN1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)7-21-10-3-1-2-9(5-10)18-12(20)8-4-11(19)17-6-8/h8-10H,1-7H2,(H,17,19)(H,18,20)
InChIKeyVOHTXWLYEKAKRR-UHFFFAOYSA-N
XLogP1.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide
CID 82905448
3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696429
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide
CID 42957235
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
2-amino-2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 60865754
(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 61155302
1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 39618851
1-(4-methoxyphenyl)-3-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 38885386

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide (CID 78982699) is 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide is O=C1CC(C(=O)NC2CCCC(OCC(F)(F)F)C2)CN1.
What is the InChIKey of 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is VOHTXWLYEKAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)7-21-10-3-1-2-9(5-10)18-12(20)8-4-11(19)17-6-8/h8-10H,1-7H2,(H,17,19)(H,18,20).
What are the key properties of 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide?
5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78982699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).