2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde

C6H4F3NOS — CID 58168539

IUPAC2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CC(F)(F)F)n1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)1-5-10-4(2-11)3-12-5/h2-3H,1H2
InChIKeyIAXJGZGZPABUMJ-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.06
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde

2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 58168539) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID58168539
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CC(F)(F)F)n1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)1-5-10-4(2-11)3-12-5/h2-3H,1H2
InChIKeyIAXJGZGZPABUMJ-UHFFFAOYSA-N
XLogP2.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-trifluoroethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde (CID 58168539) is 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(CC(F)(F)F)n1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is IAXJGZGZPABUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)1-5-10-4(2-11)3-12-5/h2-3H,1H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde?
2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 195.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 58168539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).