(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol

C6H6F3NOS — CID 9267875

IUPAC(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc([C@H](O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3NOS/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2,4,11H,1H3/t4-/m0/s1
InChIKeySGULJTUXTIWLEU-BYPYZUCNSA-N
MW197.18 g/mol
LogP2.05
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol

(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 9267875) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID9267875
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc([C@H](O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3NOS/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2,4,11H,1H3/t4-/m0/s1
InChIKeySGULJTUXTIWLEU-BYPYZUCNSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 9267875) is (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc([C@H](O)C(F)(F)F)n1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is SGULJTUXTIWLEU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2,4,11H,1H3/t4-/m0/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 197.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 9267875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).