1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol

C7H5F6NOS — CID 87069363

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F6NOS/c1-3-2-14-4(16-3)5(15,6(8,9)10)7(11,12)13/h2,15H,1H3
InChIKeyXSAVWZLMYLZXBW-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.76
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 87069363) has the molecular formula C7H5F6NOS and a molecular weight of 265.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID87069363
Molecular FormulaC7H5F6NOS
Molecular Weight265.18 g/mol
Exact Mass265.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F6NOS/c1-3-2-14-4(16-3)5(15,6(8,9)10)7(11,12)13/h2,15H,1H3
InChIKeyXSAVWZLMYLZXBW-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 87069363) is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is XSAVWZLMYLZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6NOS/c1-3-2-14-4(16-3)5(15,6(8,9)10)7(11,12)13/h2,15H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 265.18 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 87069363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).