2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole

C11H5F6NOS — CID 90749480

IUPAC2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESFC(F)(F)c1cccc(Oc2nccs2)c1C(F)(F)F
InChIInChI=1S/C11H5F6NOS/c12-10(13,14)6-2-1-3-7(8(6)11(15,16)17)19-9-18-4-5-20-9/h1-5H
InChIKeyGEDIHACYTAWAJH-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.97
Rot. Bonds2

About 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole

2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole (PubChem CID 90749480) has the molecular formula C11H5F6NOS and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole
PubChem CID90749480
Molecular FormulaC11H5F6NOS
Molecular Weight313.22 g/mol
Exact Mass313.00
IUPAC Name2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESFC(F)(F)c1cccc(Oc2nccs2)c1C(F)(F)F
InChIInChI=1S/C11H5F6NOS/c12-10(13,14)6-2-1-3-7(8(6)11(15,16)17)19-9-18-4-5-20-9/h1-5H
InChIKeyGEDIHACYTAWAJH-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
The IUPAC name of 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole (CID 90749480) is 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole.
What is the SMILES notation for 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
The canonical SMILES for 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole is FC(F)(F)c1cccc(Oc2nccs2)c1C(F)(F)F.
What is the InChIKey of 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
The InChIKey is GEDIHACYTAWAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NOS/c12-10(13,14)6-2-1-3-7(8(6)11(15,16)17)19-9-18-4-5-20-9/h1-5H.
What are the key properties of 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole has a molecular weight of 313.22 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(trifluoromethyl)phenoxy]-1,3-thiazole is sourced from PubChem (CID 90749480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).