1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol

C6H6F3NOS — CID 12992809

IUPAC1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(O)(c1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c1-5(11,6(7,8)9)4-10-2-3-12-4/h2-3,11H,1H3
InChIKeyQKHFNJUSNVDDEA-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.91
Rot. Bonds1

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

1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 12992809) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID12992809
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(O)(c1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c1-5(11,6(7,8)9)4-10-2-3-12-4/h2-3,11H,1H3
InChIKeyQKHFNJUSNVDDEA-UHFFFAOYSA-N
XLogP1.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
1-(1,3-Thiazol-2-yl)cyclobutan-1-ol
CID 12992810
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2-Thiazol-2-yl-propan-2-ol
CID 12992807
1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 12992808
2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 50990575
2-(2,2,2-Trifluoroethyl)-1,3-thiazole hydrobromide
CID 137963774
(1R)-1-(1,3-thiazol-2-yl)propan-1-ol hydrochloride
CID 170913972
2-Thiazolemethanol,-alpha--(1-methylethyl)-
CID 13032476
1,1-Di(2-thiazolyl)-2,2,2-trifluoroethanol
CID 9860114
1,1-Di(2-thiazolyl)-2,2,2-trifluoroethyl Methyl Ether
CID 22106697

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol (CID 12992809) is 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol is CC(O)(c1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is QKHFNJUSNVDDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-5(11,6(7,8)9)4-10-2-3-12-4/h2-3,11H,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 197.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 12992809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).