3-[2-(trifluoromethyl)phenyl]sulfanylazetidine

C10H10F3NS — CID 105492427

IUPAC3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
SMILESFC(F)(F)c1ccccc1SC1CNC1
InChIInChI=1S/C10H10F3NS/c11-10(12,13)8-3-1-2-4-9(8)15-7-5-14-6-7/h1-4,7,14H,5-6H2
InChIKeyAWOPISGRZRICQG-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.77
Rot. Bonds2

About 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine

3-[2-(trifluoromethyl)phenyl]sulfanylazetidine (PubChem CID 105492427) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
PubChem CID105492427
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
SMILESFC(F)(F)c1ccccc1SC1CNC1
InChIInChI=1S/C10H10F3NS/c11-10(12,13)8-3-1-2-4-9(8)15-7-5-14-6-7/h1-4,7,14H,5-6H2
InChIKeyAWOPISGRZRICQG-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine (CID 105492427) is 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine is FC(F)(F)c1ccccc1SC1CNC1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine?
The InChIKey is AWOPISGRZRICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)8-3-1-2-4-9(8)15-7-5-14-6-7/h1-4,7,14H,5-6H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine?
3-[2-(trifluoromethyl)phenyl]sulfanylazetidine has a molecular weight of 233.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]sulfanylazetidine is sourced from PubChem (CID 105492427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).