2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde

C7H6F3NO2S — CID 103475981

IUPAC2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-13-3-6-11-1-5(2-12)14-6/h1-2H,3-4H2
InChIKeyVPOBCIPFPNIPFB-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.03
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde

2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 103475981) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID103475981
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-13-3-6-11-1-5(2-12)14-6/h1-2H,3-4H2
InChIKeyVPOBCIPFPNIPFB-UHFFFAOYSA-N
XLogP2.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
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-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 103475981) is 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(COCC(F)(F)F)s1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VPOBCIPFPNIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)4-13-3-6-11-1-5(2-12)14-6/h1-2H,3-4H2.
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 225.19 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 103475981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).