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

C6H6F3NOS — CID 79825119

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2,4,11H,3H2
InChIKeyLFLNDJBJPAVOFB-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.61
Rot. Bonds2

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

1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79825119) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79825119
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2,4,11H,3H2
InChIKeyLFLNDJBJPAVOFB-UHFFFAOYSA-N
XLogP1.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 112575169
1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
CID 102562642
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824785
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
1-(3,5-difluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823901
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol (CID 79825119) is 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol is OC(Cc1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is LFLNDJBJPAVOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2,4,11H,3H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 197.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79825119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).