1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol

C7H5F6NO2S — CID 86638586

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESOCc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F6NO2S/c8-6(9,10)5(16,7(11,12)13)3-1-14-4(2-15)17-3/h1,15-16H,2H2
InChIKeyVVQKOUZOIAWSRA-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.95
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 86638586) has the molecular formula C7H5F6NO2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID86638586
Molecular FormulaC7H5F6NO2S
Molecular Weight281.18 g/mol
Exact Mass280.99
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESOCc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F6NO2S/c8-6(9,10)5(16,7(11,12)13)3-1-14-4(2-15)17-3/h1,15-16H,2H2
InChIKeyVVQKOUZOIAWSRA-UHFFFAOYSA-N
XLogP1.95
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 86638586) is 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol is OCc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is VVQKOUZOIAWSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6NO2S/c8-6(9,10)5(16,7(11,12)13)3-1-14-4(2-15)17-3/h1,15-16H,2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 281.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-(hydroxymethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 86638586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).