3-(3-fluoropropylsulfinylmethyl)azetidine

C7H14FNOS — CID 81197751

IUPAC3-(3-fluoropropylsulfinylmethyl)azetidine
SMILESO=S(CCCF)CC1CNC1
InChIInChI=1S/C7H14FNOS/c8-2-1-3-11(10)6-7-4-9-5-7/h7,9H,1-6H2
InChIKeyKWSMWUZKNTWREV-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.31
Rot. Bonds5

About 3-(3-fluoropropylsulfinylmethyl)azetidine

3-(3-fluoropropylsulfinylmethyl)azetidine (PubChem CID 81197751) has the molecular formula C7H14FNOS and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfinylmethyl)azetidine
PubChem CID81197751
Molecular FormulaC7H14FNOS
Molecular Weight179.26 g/mol
Exact Mass179.08
IUPAC Name3-(3-fluoropropylsulfinylmethyl)azetidine
SMILESO=S(CCCF)CC1CNC1
InChIInChI=1S/C7H14FNOS/c8-2-1-3-11(10)6-7-4-9-5-7/h7,9H,1-6H2
InChIKeyKWSMWUZKNTWREV-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluoropropylsulfinylmethyl)azetidine 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-(3-fluoropropylsulfinylmethyl)azetidine?
The IUPAC name of 3-(3-fluoropropylsulfinylmethyl)azetidine (CID 81197751) is 3-(3-fluoropropylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(3-fluoropropylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(3-fluoropropylsulfinylmethyl)azetidine is O=S(CCCF)CC1CNC1.
What is the InChIKey of 3-(3-fluoropropylsulfinylmethyl)azetidine?
The InChIKey is KWSMWUZKNTWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNOS/c8-2-1-3-11(10)6-7-4-9-5-7/h7,9H,1-6H2.
What are the key properties of 3-(3-fluoropropylsulfinylmethyl)azetidine?
3-(3-fluoropropylsulfinylmethyl)azetidine has a molecular weight of 179.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfinylmethyl)azetidine is sourced from PubChem (CID 81197751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).