3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine

C10H9BrF3NS — CID 86810913

IUPAC3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine
SMILESFC(F)(F)c1c(Br)cccc1N1CCSC1
InChIInChI=1S/C10H9BrF3NS/c11-7-2-1-3-8(9(7)10(12,13)14)15-4-5-16-6-15/h1-3H,4-6H2
InChIKeyZZVKSLFNMIWPRF-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.98
Rot. Bonds1

About 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine

3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine (PubChem CID 86810913) has the molecular formula C10H9BrF3NS and a molecular weight of 312.15 g/mol. Its IUPAC name is 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine
PubChem CID86810913
Molecular FormulaC10H9BrF3NS
Molecular Weight312.15 g/mol
Exact Mass310.96
IUPAC Name3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine
SMILESFC(F)(F)c1c(Br)cccc1N1CCSC1
InChIInChI=1S/C10H9BrF3NS/c11-7-2-1-3-8(9(7)10(12,13)14)15-4-5-16-6-15/h1-3H,4-6H2
InChIKeyZZVKSLFNMIWPRF-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine?
The IUPAC name of 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine (CID 86810913) is 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine?
The canonical SMILES for 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine is FC(F)(F)c1c(Br)cccc1N1CCSC1.
What is the InChIKey of 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine?
The InChIKey is ZZVKSLFNMIWPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NS/c11-7-2-1-3-8(9(7)10(12,13)14)15-4-5-16-6-15/h1-3H,4-6H2.
What are the key properties of 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine?
3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine has a molecular weight of 312.15 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazolidine is sourced from PubChem (CID 86810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).