(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C10H16F3NO3 — CID 51943622

IUPAC(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C10H16F3NO3/c1-7(17-6-10(11,12)13)9(15)14-5-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyPUPSPSHKHRWBNZ-JGVFFNPUSA-N
MW255.24 g/mol
LogP1.25
Rot. Bonds5

About (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51943622) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51943622
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C10H16F3NO3/c1-7(17-6-10(11,12)13)9(15)14-5-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyPUPSPSHKHRWBNZ-JGVFFNPUSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 51943622) is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PUPSPSHKHRWBNZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(17-6-10(11,12)13)9(15)14-5-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 255.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51943622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).