N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide

C11H15F6N3O3 — CID 124554805

IUPACN-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F6N3O3/c12-10(13,14)5-18-9(23)19-7(21)4-20-3-1-2-6(20)8(22)11(15,16)17/h6,8,22H,1-5H2,(H2,18,19,21,23)/t6-,8-/m0/s1
InChIKeyCGCYJGPSDRXKLT-XPUUQOCRSA-N
MW351.25 g/mol
LogP0.76
Rot. Bonds4

About N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide

N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide (PubChem CID 124554805) has the molecular formula C11H15F6N3O3 and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
PubChem CID124554805
Molecular FormulaC11H15F6N3O3
Molecular Weight351.25 g/mol
Exact Mass351.10
IUPAC NameN-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F6N3O3/c12-10(13,14)5-18-9(23)19-7(21)4-20-3-1-2-6(20)8(22)11(15,16)17/h6,8,22H,1-5H2,(H2,18,19,21,23)/t6-,8-/m0/s1
InChIKeyCGCYJGPSDRXKLT-XPUUQOCRSA-N
XLogP0.76
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide (CID 124554805) is N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NC(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
The InChIKey is CGCYJGPSDRXKLT-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H15F6N3O3/c12-10(13,14)5-18-9(23)19-7(21)4-20-3-1-2-6(20)8(22)11(15,16)17/h6,8,22H,1-5H2,(H2,18,19,21,23)/t6-,8-/m0/s1.
What are the key properties of N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide has a molecular weight of 351.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124554805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).