5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde

C7H3F6NO2S — CID 86638584

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H3F6NO2S/c8-6(9,10)5(16,7(11,12)13)3-1-14-4(2-15)17-3/h1-2,16H
InChIKeyKYRRHVBUAZQJFF-UHFFFAOYSA-N
MW279.16 g/mol
LogP2.27
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 86638584) has the molecular formula C7H3F6NO2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID86638584
Molecular FormulaC7H3F6NO2S
Molecular Weight279.16 g/mol
Exact Mass278.98
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H3F6NO2S/c8-6(9,10)5(16,7(11,12)13)3-1-14-4(2-15)17-3/h1-2,16H
InChIKeyKYRRHVBUAZQJFF-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde
CID 59331383
2-(2-Bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86638585
2-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 59331314
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 67315405
Ethanone, 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-thiazolyl]-
CID 71294264
1,1,1,3,3,3-Hexafluoro-2-(2-(hydroxymethyl)thiazol-5-yl)propan-2-ol
CID 86638586
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide
CID 87544008
1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-5-yl)propan-2-ol
CID 91107423
5-(2-Fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 84766428
5-(1,1-Difluoroethyl)-1,3-thiazole-2-carbaldehyde
CID 84767276
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106781976
2-Hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
CID 106782167

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde (CID 86638584) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is KYRRHVBUAZQJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO2S/c8-6(9,10)5(16,7(11,12)13)3-1-14-4(2-15)17-3/h1-2,16H.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde?
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 279.16 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 86638584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).