N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H16F3NO3 — CID 95149815

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

About N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 95149815) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID95149815
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@H](NC(=O)COCC(F)(F)F)[C@@H]1CCCO1
InChIInChI=1S/C10H16F3NO3/c1-7(8-3-2-4-17-8)14-9(15)5-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyURAAGWAACBJCQB-YUMQZZPRSA-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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Related Compounds

N-[1-(tetrahydrofuran-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 3442073
(2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
CID 127690902
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 132346741
N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
CID 90773517
2-methyl-N-(oxolan-2-ylethyl)propanamide
CID 17330448
2,2,2-trifluoro-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 17330453
3,3,3-trifluoro-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 45812378
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823282
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887332
N-cyclopentyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887372
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943620
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943621

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 95149815) is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is C[C@H](NC(=O)COCC(F)(F)F)[C@@H]1CCCO1.
What is the InChIKey of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is URAAGWAACBJCQB-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(8-3-2-4-17-8)14-9(15)5-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide 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 N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 95149815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).