3-(difluoromethylsulfinylmethyl)azetidine

C5H9F2NOS — CID 81197908

IUPAC3-(difluoromethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)C(F)F
InChIInChI=1S/C5H9F2NOS/c6-5(7)10(9)3-4-1-8-2-4/h4-5,8H,1-3H2
InChIKeyQGXFYSJHNPOHLJ-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.18
Rot. Bonds3

About 3-(difluoromethylsulfinylmethyl)azetidine

3-(difluoromethylsulfinylmethyl)azetidine (PubChem CID 81197908) has the molecular formula C5H9F2NOS and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(difluoromethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(difluoromethylsulfinylmethyl)azetidine
PubChem CID81197908
Molecular FormulaC5H9F2NOS
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name3-(difluoromethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)C(F)F
InChIInChI=1S/C5H9F2NOS/c6-5(7)10(9)3-4-1-8-2-4/h4-5,8H,1-3H2
InChIKeyQGXFYSJHNPOHLJ-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(difluoromethylsulfinylmethyl)azetidine (CID 81197908) is 3-(difluoromethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(difluoromethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(difluoromethylsulfinylmethyl)azetidine is O=S(CC1CNC1)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfinylmethyl)azetidine?
The InChIKey is QGXFYSJHNPOHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NOS/c6-5(7)10(9)3-4-1-8-2-4/h4-5,8H,1-3H2.
What are the key properties of 3-(difluoromethylsulfinylmethyl)azetidine?
3-(difluoromethylsulfinylmethyl)azetidine has a molecular weight of 169.20 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81197908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).