3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol

C9H15F2NOS — CID 167975178

IUPAC3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol
SMILESOC1(C(F)F)CN(CC2CCSC2)C1
InChIInChI=1S/C9H15F2NOS/c10-8(11)9(13)5-12(6-9)3-7-1-2-14-4-7/h7-8,13H,1-6H2
InChIKeyUHJTYKSETPTUPW-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.05
Rot. Bonds3

About 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol

3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol (PubChem CID 167975178) has the molecular formula C9H15F2NOS and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol
PubChem CID167975178
Molecular FormulaC9H15F2NOS
Molecular Weight223.29 g/mol
Exact Mass223.08
IUPAC Name3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol
SMILESOC1(C(F)F)CN(CC2CCSC2)C1
InChIInChI=1S/C9H15F2NOS/c10-8(11)9(13)5-12(6-9)3-7-1-2-14-4-7/h7-8,13H,1-6H2
InChIKeyUHJTYKSETPTUPW-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol?
The IUPAC name of 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol (CID 167975178) is 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol?
The canonical SMILES for 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol is OC1(C(F)F)CN(CC2CCSC2)C1.
What is the InChIKey of 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol?
The InChIKey is UHJTYKSETPTUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NOS/c10-8(11)9(13)5-12(6-9)3-7-1-2-14-4-7/h7-8,13H,1-6H2.
What are the key properties of 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol?
3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol has a molecular weight of 223.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol is sourced from PubChem (CID 167975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).