4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid

C8H5F6NO3S — CID 102721454

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COC(C(F)(F)F)C(F)(F)F)cs1
InChIInChI=1S/C8H5F6NO3S/c9-7(10,11)6(8(12,13)14)18-1-3-2-19-4(15-3)5(16)17/h2,6H,1H2,(H,16,17)
InChIKeyHSZVIYACMRXNPT-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.85
Rot. Bonds4

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 102721454) has the molecular formula C8H5F6NO3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID102721454
Molecular FormulaC8H5F6NO3S
Molecular Weight309.19 g/mol
Exact Mass308.99
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COC(C(F)(F)F)C(F)(F)F)cs1
InChIInChI=1S/C8H5F6NO3S/c9-7(10,11)6(8(12,13)14)18-1-3-2-19-4(15-3)5(16)17/h2,6H,1H2,(H,16,17)
InChIKeyHSZVIYACMRXNPT-UHFFFAOYSA-N
XLogP2.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid with MolForge

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Related Compounds

4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 62785193
4-(prop-2-ynoxymethyl)-1,3-thiazole-2-carboxylic acid
CID 43664309
4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103250366
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
4-[(2-propan-2-yloxyethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266532
4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
4-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103261428
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid (CID 102721454) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(COC(C(F)(F)F)C(F)(F)F)cs1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is HSZVIYACMRXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO3S/c9-7(10,11)6(8(12,13)14)18-1-3-2-19-4(15-3)5(16)17/h2,6H,1H2,(H,16,17).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 309.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 102721454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).