2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal

C7H6F3NO2S — CID 106782167

IUPAC2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
SMILESCC(O)(C=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-6(13,3-12)4-2-11-5(14-4)7(8,9)10/h2-3,13H,1H3
InChIKeyAPDHDFGTGGTKGN-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.57
Rot. Bonds2

About 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal

2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal (PubChem CID 106782167) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal.

Molecular Properties

Compound Name2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
PubChem CID106782167
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
SMILESCC(O)(C=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-6(13,3-12)4-2-11-5(14-4)7(8,9)10/h2-3,13H,1H3
InChIKeyAPDHDFGTGGTKGN-UHFFFAOYSA-N
XLogP1.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal?
The IUPAC name of 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal (CID 106782167) is 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal.
What is the SMILES notation for 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal?
The canonical SMILES for 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal is CC(O)(C=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal?
The InChIKey is APDHDFGTGGTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-6(13,3-12)4-2-11-5(14-4)7(8,9)10/h2-3,13H,1H3.
What are the key properties of 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal?
2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal has a molecular weight of 225.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal is sourced from PubChem (CID 106782167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).