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

C7H6F3NOS — CID 58378362

IUPAC2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)2-1-6-11-3-5(4-12)13-6/h3-4H,1-2H2
InChIKeyGUSRAKFVCYDETL-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.45
Rot. Bonds3

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

2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 58378362) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde
PubChem CID58378362
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)2-1-6-11-3-5(4-12)13-6/h3-4H,1-2H2
InChIKeyGUSRAKFVCYDETL-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.45
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-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde (CID 58378362) is 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(CCC(F)(F)F)s1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is GUSRAKFVCYDETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)2-1-6-11-3-5(4-12)13-6/h3-4H,1-2H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde?
2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 209.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 58378362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).