4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole

C13H10F5NOS — CID 90927176

IUPAC4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cs1
InChIInChI=1S/C13H10F5NOS/c1-2-11-19-10(5-21-11)7-3-8(14)12(9(15)4-7)20-6-13(16,17)18/h3-5H,2,6H2,1H3
InChIKeyGMUOUELKDAIXQA-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.59
Rot. Bonds4

About 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole

4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole (PubChem CID 90927176) has the molecular formula C13H10F5NOS and a molecular weight of 323.29 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole
PubChem CID90927176
Molecular FormulaC13H10F5NOS
Molecular Weight323.29 g/mol
Exact Mass323.04
IUPAC Name4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cs1
InChIInChI=1S/C13H10F5NOS/c1-2-11-19-10(5-21-11)7-3-8(14)12(9(15)4-7)20-6-13(16,17)18/h3-5H,2,6H2,1H3
InChIKeyGMUOUELKDAIXQA-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole (CID 90927176) is 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole is CCc1nc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cs1.
What is the InChIKey of 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole?
The InChIKey is GMUOUELKDAIXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NOS/c1-2-11-19-10(5-21-11)7-3-8(14)12(9(15)4-7)20-6-13(16,17)18/h3-5H,2,6H2,1H3.
What are the key properties of 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole?
4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole has a molecular weight of 323.29 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 90927176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).