2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole

C11H5F6NOS — CID 173078203

IUPAC2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Oc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C11H5F6NOS/c12-10(13,14)7-2-1-6(5-8(7)11(15,16)17)19-9-18-3-4-20-9/h1-5H
InChIKeyKHVKUTQJJSCJLT-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.97
Rot. Bonds2

About 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole

2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole (PubChem CID 173078203) has the molecular formula C11H5F6NOS and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole
PubChem CID173078203
Molecular FormulaC11H5F6NOS
Molecular Weight313.22 g/mol
Exact Mass313.00
IUPAC Name2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Oc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C11H5F6NOS/c12-10(13,14)7-2-1-6(5-8(7)11(15,16)17)19-9-18-3-4-20-9/h1-5H
InChIKeyKHVKUTQJJSCJLT-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-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole (CID 173078203) is 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole.
What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole is FC(F)(F)c1ccc(Oc2nccs2)cc1C(F)(F)F.
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
The InChIKey is KHVKUTQJJSCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NOS/c12-10(13,14)7-2-1-6(5-8(7)11(15,16)17)19-9-18-3-4-20-9/h1-5H.
What are the key properties of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole?
2-[3,4-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-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole is sourced from PubChem (CID 173078203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).