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

C9H9F6NOS — CID 20729841

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)c1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C9H9F6NOS/c1-4(2)5-3-16-6(18-5)7(17,8(10,11)12)9(13,14)15/h3-4,17H,1-2H3
InChIKeyNOLBMJCJMWWPLC-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.58
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 20729841) has the molecular formula C9H9F6NOS and a molecular weight of 293.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID20729841
Molecular FormulaC9H9F6NOS
Molecular Weight293.23 g/mol
Exact Mass293.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)c1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C9H9F6NOS/c1-4(2)5-3-16-6(18-5)7(17,8(10,11)12)9(13,14)15/h3-4,17H,1-2H3
InChIKeyNOLBMJCJMWWPLC-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.58
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-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol (CID 20729841) is 1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol is CC(C)c1cnc(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-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is NOLBMJCJMWWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NOS/c1-4(2)5-3-16-6(18-5)7(17,8(10,11)12)9(13,14)15/h3-4,17H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 293.23 g/mol, XLogP of 3.58, 2 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-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 20729841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).