2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol

C10H14F3NOS — CID 137444302

IUPAC2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(C)(C)C(O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-9(2,3)8(15)6-5-14-7(16-6)4-10(11,12)13/h5,8,15H,4H2,1-3H3
InChIKeyZHLKMHYNCNBYQE-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.33
Rot. Bonds2

About 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol

2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 137444302) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID137444302
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(C)(C)C(O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-9(2,3)8(15)6-5-14-7(16-6)4-10(11,12)13/h5,8,15H,4H2,1-3H3
InChIKeyZHLKMHYNCNBYQE-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 137444302) is 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol is CC(C)(C)C(O)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is ZHLKMHYNCNBYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-9(2,3)8(15)6-5-14-7(16-6)4-10(11,12)13/h5,8,15H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol?
2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 253.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 137444302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).