2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole

C15H8F3NOS — CID 155258447

IUPAC2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole
SMILESFc1ccc(-c2ccc(Oc3nccs3)c(F)c2)cc1F
InChIInChI=1S/C15H8F3NOS/c16-11-3-1-9(7-12(11)17)10-2-4-14(13(18)8-10)20-15-19-5-6-21-15/h1-8H
InChIKeyPGNAPUVHGYXJKA-UHFFFAOYSA-N
MW307.30 g/mol
LogP5.02
Rot. Bonds3

About 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole

2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole (PubChem CID 155258447) has the molecular formula C15H8F3NOS and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole
PubChem CID155258447
Molecular FormulaC15H8F3NOS
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Name2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole
SMILESFc1ccc(-c2ccc(Oc3nccs3)c(F)c2)cc1F
InChIInChI=1S/C15H8F3NOS/c16-11-3-1-9(7-12(11)17)10-2-4-14(13(18)8-10)20-15-19-5-6-21-15/h1-8H
InChIKeyPGNAPUVHGYXJKA-UHFFFAOYSA-N
XLogP5.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.30
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole (CID 155258447) is 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole is Fc1ccc(-c2ccc(Oc3nccs3)c(F)c2)cc1F.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole?
The InChIKey is PGNAPUVHGYXJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NOS/c16-11-3-1-9(7-12(11)17)10-2-4-14(13(18)8-10)20-15-19-5-6-21-15/h1-8H.
What are the key properties of 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole?
2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole has a molecular weight of 307.30 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole is sourced from PubChem (CID 155258447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).