6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol

C10H14F3NOS — CID 116535903

IUPAC6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)Cc1cncs1
InChIInChI=1S/C10H14F3NOS/c1-9(15,3-2-4-10(11,12)13)5-8-6-14-7-16-8/h6-7,15H,2-5H2,1H3
InChIKeyYDGOJYHXWUTDDL-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.17
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol

6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol (PubChem CID 116535903) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol
PubChem CID116535903
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)Cc1cncs1
InChIInChI=1S/C10H14F3NOS/c1-9(15,3-2-4-10(11,12)13)5-8-6-14-7-16-8/h6-7,15H,2-5H2,1H3
InChIKeyYDGOJYHXWUTDDL-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol (CID 116535903) is 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol is CC(O)(CCCC(F)(F)F)Cc1cncs1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol?
The InChIKey is YDGOJYHXWUTDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-9(15,3-2-4-10(11,12)13)5-8-6-14-7-16-8/h6-7,15H,2-5H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol?
6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol has a molecular weight of 253.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-1-(1,3-thiazol-5-yl)hexan-2-ol is sourced from PubChem (CID 116535903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).