2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine

C5H7ClF3NS — CID 123271178

IUPAC2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine
SMILESCN1C(Cl)SCC1C(F)(F)F
InChIInChI=1S/C5H7ClF3NS/c1-10-3(5(7,8)9)2-11-4(10)6/h3-4H,2H2,1H3
InChIKeyHYWFYFYSJUYNFO-UHFFFAOYSA-N
MW205.63 g/mol
LogP2.12
Rot. Bonds

About 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine

2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 123271178) has the molecular formula C5H7ClF3NS and a molecular weight of 205.63 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine
PubChem CID123271178
Molecular FormulaC5H7ClF3NS
Molecular Weight205.63 g/mol
Exact Mass204.99
IUPAC Name2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine
SMILESCN1C(Cl)SCC1C(F)(F)F
InChIInChI=1S/C5H7ClF3NS/c1-10-3(5(7,8)9)2-11-4(10)6/h3-4H,2H2,1H3
InChIKeyHYWFYFYSJUYNFO-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.63
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine (CID 123271178) is 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine is CN1C(Cl)SCC1C(F)(F)F.
What is the InChIKey of 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is HYWFYFYSJUYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF3NS/c1-10-3(5(7,8)9)2-11-4(10)6/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine?
2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 205.63 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 123271178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).