3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol

C11H8F3NO2S — CID 19101630

IUPAC3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol
SMILESOc1cccc(C(O)(c2nccs2)C(F)(F)F)c1
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)10(17,9-15-4-5-18-9)7-2-1-3-8(16)6-7/h1-6,16-17H
InChIKeyTWXRPLXWYCCHRN-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.65
Rot. Bonds2

About 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol

3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol (PubChem CID 19101630) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol
PubChem CID19101630
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC Name3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol
SMILESOc1cccc(C(O)(c2nccs2)C(F)(F)F)c1
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)10(17,9-15-4-5-18-9)7-2-1-3-8(16)6-7/h1-6,16-17H
InChIKeyTWXRPLXWYCCHRN-UHFFFAOYSA-N
XLogP2.65
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol?
The IUPAC name of 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol (CID 19101630) is 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol is Oc1cccc(C(O)(c2nccs2)C(F)(F)F)c1.
What is the InChIKey of 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol?
The InChIKey is TWXRPLXWYCCHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c12-11(13,14)10(17,9-15-4-5-18-9)7-2-1-3-8(16)6-7/h1-6,16-17H.
What are the key properties of 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol?
3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol has a molecular weight of 275.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenol is sourced from PubChem (CID 19101630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).