2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one

C13H11ClF3NOS — CID 44583140

IUPAC2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1C1C(F)CC1F
InChIInChI=1S/C13H11ClF3NOS/c14-6-2-1-3-7(15)11(6)13-18(10(19)5-20-13)12-8(16)4-9(12)17/h1-3,8-9,12-13H,4-5H2
InChIKeyDLQRNKHFFLIFAL-UHFFFAOYSA-N
MW321.75 g/mol
LogP3.50
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one (PubChem CID 44583140) has the molecular formula C13H11ClF3NOS and a molecular weight of 321.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one
PubChem CID44583140
Molecular FormulaC13H11ClF3NOS
Molecular Weight321.75 g/mol
Exact Mass321.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1C1C(F)CC1F
InChIInChI=1S/C13H11ClF3NOS/c14-6-2-1-3-7(15)11(6)13-18(10(19)5-20-13)12-8(16)4-9(12)17/h1-3,8-9,12-13H,4-5H2
InChIKeyDLQRNKHFFLIFAL-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one (CID 44583140) is 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1C1C(F)CC1F.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one?
The InChIKey is DLQRNKHFFLIFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NOS/c14-6-2-1-3-7(15)11(6)13-18(10(19)5-20-13)12-8(16)4-9(12)17/h1-3,8-9,12-13H,4-5H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one has a molecular weight of 321.75 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44583140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).