3-(2,2-difluoroethylsulfinylmethyl)azetidine

C6H11F2NOS — CID 81197062

IUPAC3-(2,2-difluoroethylsulfinylmethyl)azetidine
SMILESO=S(CC(F)F)CC1CNC1
InChIInChI=1S/C6H11F2NOS/c7-6(8)4-11(10)3-5-1-9-2-5/h5-6,9H,1-4H2
InChIKeyUYAQCRSSRMDKAP-UHFFFAOYSA-N
MW183.22 g/mol
LogP0.22
Rot. Bonds4

About 3-(2,2-difluoroethylsulfinylmethyl)azetidine

3-(2,2-difluoroethylsulfinylmethyl)azetidine (PubChem CID 81197062) has the molecular formula C6H11F2NOS and a molecular weight of 183.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfinylmethyl)azetidine
PubChem CID81197062
Molecular FormulaC6H11F2NOS
Molecular Weight183.22 g/mol
Exact Mass183.05
IUPAC Name3-(2,2-difluoroethylsulfinylmethyl)azetidine
SMILESO=S(CC(F)F)CC1CNC1
InChIInChI=1S/C6H11F2NOS/c7-6(8)4-11(10)3-5-1-9-2-5/h5-6,9H,1-4H2
InChIKeyUYAQCRSSRMDKAP-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(2,2-difluoroethylsulfinylmethyl)azetidine (CID 81197062) is 3-(2,2-difluoroethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(2,2-difluoroethylsulfinylmethyl)azetidine is O=S(CC(F)F)CC1CNC1.
What is the InChIKey of 3-(2,2-difluoroethylsulfinylmethyl)azetidine?
The InChIKey is UYAQCRSSRMDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NOS/c7-6(8)4-11(10)3-5-1-9-2-5/h5-6,9H,1-4H2.
What are the key properties of 3-(2,2-difluoroethylsulfinylmethyl)azetidine?
3-(2,2-difluoroethylsulfinylmethyl)azetidine has a molecular weight of 183.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81197062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).