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

C7H12F3NOS — CID 116617472

IUPAC3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCC1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C7H12F3NOS/c1-6(12)4-11(5-6)2-3-13-7(8,9)10/h12H,2-5H2,1H3
InChIKeySRWMECWZVUIPEC-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.31
Rot. Bonds3

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

3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (PubChem CID 116617472) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
PubChem CID116617472
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCC1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C7H12F3NOS/c1-6(12)4-11(5-6)2-3-13-7(8,9)10/h12H,2-5H2,1H3
InChIKeySRWMECWZVUIPEC-UHFFFAOYSA-N
XLogP1.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (CID 116617472) is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is CC1(O)CN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The InChIKey is SRWMECWZVUIPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c1-6(12)4-11(5-6)2-3-13-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol has a molecular weight of 215.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 116617472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).