1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine

C5H8F3NS2 — CID 167278317

IUPAC1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine
SMILESFC(F)(F)SCC1CN(S)C1
InChIInChI=1S/C5H8F3NS2/c6-5(7,8)11-3-4-1-9(10)2-4/h4,10H,1-3H2
InChIKeyVBIADGCZPPTUMB-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.02
Rot. Bonds2

About 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine

1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine (PubChem CID 167278317) has the molecular formula C5H8F3NS2 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine
PubChem CID167278317
Molecular FormulaC5H8F3NS2
Molecular Weight203.25 g/mol
Exact Mass203.01
IUPAC Name1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine
SMILESFC(F)(F)SCC1CN(S)C1
InChIInChI=1S/C5H8F3NS2/c6-5(7,8)11-3-4-1-9(10)2-4/h4,10H,1-3H2
InChIKeyVBIADGCZPPTUMB-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine?
The IUPAC name of 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine (CID 167278317) is 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine?
The canonical SMILES for 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine is FC(F)(F)SCC1CN(S)C1.
What is the InChIKey of 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine?
The InChIKey is VBIADGCZPPTUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS2/c6-5(7,8)11-3-4-1-9(10)2-4/h4,10H,1-3H2.
What are the key properties of 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine?
1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine has a molecular weight of 203.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine is sourced from PubChem (CID 167278317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).