2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone

C11H16F3NO3S — CID 126841575

IUPAC2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COCC1CCCO1)N1CCSC1C(F)(F)F
InChIInChI=1S/C11H16F3NO3S/c12-11(13,14)10-15(3-5-19-10)9(16)7-17-6-8-2-1-4-18-8/h8,10H,1-7H2
InChIKeyIDCOWGUQHVREPL-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.65
Rot. Bonds4

About 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone

2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 126841575) has the molecular formula C11H16F3NO3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID126841575
Molecular FormulaC11H16F3NO3S
Molecular Weight299.31 g/mol
Exact Mass299.08
IUPAC Name2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COCC1CCCO1)N1CCSC1C(F)(F)F
InChIInChI=1S/C11H16F3NO3S/c12-11(13,14)10-15(3-5-19-10)9(16)7-17-6-8-2-1-4-18-8/h8,10H,1-7H2
InChIKeyIDCOWGUQHVREPL-UHFFFAOYSA-N
XLogP1.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 99615375
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 98323854
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
CID 100839544
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95598403
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
CID 126832485

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone (CID 126841575) is 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone is O=C(COCC1CCCO1)N1CCSC1C(F)(F)F.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is IDCOWGUQHVREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3S/c12-11(13,14)10-15(3-5-19-10)9(16)7-17-6-8-2-1-4-18-8/h8,10H,1-7H2.
What are the key properties of 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone?
2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 299.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 126841575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).