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

C6H6F3NO2S — CID 130729854

IUPAC(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc([C@H](O)C(F)(F)F)sn1
InChIInChI=1S/C6H6F3NO2S/c1-12-4-2-3(13-10-4)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1
InChIKeyWAYUEKLMATVOBF-YFKPBYRVSA-N
MW213.18 g/mol
LogP1.75
Rot. Bonds2

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 CID130729854
Molecular FormulaC6H6F3NO2S
Molecular Weight213.18 g/mol
Exact Mass213.01
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc([C@H](O)C(F)(F)F)sn1
InChIInChI=1S/C6H6F3NO2S/c1-12-4-2-3(13-10-4)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1
InChIKeyWAYUEKLMATVOBF-YFKPBYRVSA-N
XLogP1.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).