2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine

C11H13ClFNS — CID 81165826

IUPAC2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C11H13ClFNS/c1-11(2)6-15-10(14-11)7-3-4-9(13)8(12)5-7/h3-5,10,14H,6H2,1-2H3
InChIKeyUQKMINNGVDZCGN-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.59
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine

2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 81165826) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID81165826
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C11H13ClFNS/c1-11(2)6-15-10(14-11)7-3-4-9(13)8(12)5-7/h3-5,10,14H,6H2,1-2H3
InChIKeyUQKMINNGVDZCGN-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine (CID 81165826) is 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine is CC1(C)CSC(c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is UQKMINNGVDZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c1-11(2)6-15-10(14-11)7-3-4-9(13)8(12)5-7/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine?
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 245.75 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 81165826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).