(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol

C₆H₆F₃NO₂S — CID 130729854

About (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol

(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol (PubChem CID 130729854) has the molecular formula C₆H₆F₃NO₂S and a molecular weight of 213.18 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol.

Molecular Properties

• Compound Name: (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
• PubChem CID: 130729854
• Molecular Formula: C₆H₆F₃NO₂S
• Molecular Weight: 213.18 g/mol
• Exact Mass: 213.01
• IUPAC Name: (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
• SMILES: COc1cc([C@H](O)C(F)(F)F)sn1
• InChI: InChI=1S/C6H6F3NO2S/c1-12-4-2-3(13-10-4)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1
• InChIKey: WAYUEKLMATVOBF-YFKPBYRVSA-N
• XLogP: 1.75
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.18
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?

The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol (CID 130729854) is (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol.

What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?

The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol is COc1cc([C@H](O)C(F)(F)F)sn1.

What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?

The InChIKey is WAYUEKLMATVOBF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H6F3NO2S/c1-12-4-2-3(13-10-4)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1.

What are the key properties of (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?

(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol has a molecular weight of 213.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130729854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130729854 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.