5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde

C9H4F3NO2S — CID 106886678

IUPAC5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-3-7(16-8)6-2-1-5(4-14)15-6/h1-4H
InChIKeyRVDDXWUYCDUWDJ-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.23
Rot. Bonds2

About 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde

5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde (PubChem CID 106886678) has the molecular formula C9H4F3NO2S and a molecular weight of 247.20 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde
PubChem CID106886678
Molecular FormulaC9H4F3NO2S
Molecular Weight247.20 g/mol
Exact Mass246.99
IUPAC Name5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-3-7(16-8)6-2-1-5(4-14)15-6/h1-4H
InChIKeyRVDDXWUYCDUWDJ-UHFFFAOYSA-N
XLogP3.23
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 53.23
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 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde (CID 106886678) is 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2cnc(C(F)(F)F)s2)o1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
The InChIKey is RVDDXWUYCDUWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-3-7(16-8)6-2-1-5(4-14)15-6/h1-4H.
What are the key properties of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde has a molecular weight of 247.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde is sourced from PubChem (CID 106886678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).