1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol

C6H10F3NOS — CID 116617469

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESOC1CN(CCSC(F)(F)F)C1
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)12-2-1-10-3-5(11)4-10/h5,11H,1-4H2
InChIKeyUQCKNEHNGMJGKN-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.92
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol

1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (PubChem CID 116617469) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
PubChem CID116617469
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESOC1CN(CCSC(F)(F)F)C1
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)12-2-1-10-3-5(11)4-10/h5,11H,1-4H2
InChIKeyUQCKNEHNGMJGKN-UHFFFAOYSA-N
XLogP0.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (CID 116617469) is 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is OC1CN(CCSC(F)(F)F)C1.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The InChIKey is UQCKNEHNGMJGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c7-6(8,9)12-2-1-10-3-5(11)4-10/h5,11H,1-4H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol has a molecular weight of 201.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 116617469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).