2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol

C7H7F3N2OS — CID 71294250

IUPAC2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol
SMILESCSc1ncc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2OS/c1-14-6-11-2-4(3-12-6)5(13)7(8,9)10/h2-3,5,13H,1H3
InChIKeyQWFATODWXSPOLL-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.79
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol

2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol (PubChem CID 71294250) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol
PubChem CID71294250
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol
SMILESCSc1ncc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2OS/c1-14-6-11-2-4(3-12-6)5(13)7(8,9)10/h2-3,5,13H,1H3
InChIKeyQWFATODWXSPOLL-UHFFFAOYSA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-(Methylsulfanyl)pyrimidin-5-yl)methanol
CID 22050485
Methioprim
CID 220531
2-[2-(Methylsulfanyl)pyrimidin-5-yl]ethan-1-ol
CID 83674449
1-(4-Fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol
CID 10419979
(4-Methyl-2-(methylthio)pyrimidin-5-yl)methanol
CID 15063003
1-(2-Methylpyrimidin-5-yl)ethanol
CID 54772447
[2-Methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 21220617
5-Pyrimidinemethanol, alpha-methyl-2-(trifluoromethyl)-
CID 59225756
alpha-(Trifluoromethyl)pyrimidine-5-methanol
CID 62962608
2-Methylsulfanyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine
CID 68210651
5-Pyrimidinemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 68210659
5-(2,2,2-Trifluoro-1-methoxyethyl)pyrimidine
CID 68210666

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol (CID 71294250) is 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol is CSc1ncc(C(O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol?
The InChIKey is QWFATODWXSPOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-14-6-11-2-4(3-12-6)5(13)7(8,9)10/h2-3,5,13H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol?
2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol has a molecular weight of 224.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylsulfanylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 71294250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).