3-fluoro-3-methylsulfanylazetidine

C4H8FNS — CID 170103554

IUPAC3-fluoro-3-methylsulfanylazetidine
SMILESCSC1(F)CNC1
InChIInChI=1S/C4H8FNS/c1-7-4(5)2-6-3-4/h6H,2-3H2,1H3
InChIKeyDQHPVVLZZRGKKS-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.62
Rot. Bonds1

About 3-fluoro-3-methylsulfanylazetidine

3-fluoro-3-methylsulfanylazetidine (PubChem CID 170103554) has the molecular formula C4H8FNS and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-fluoro-3-methylsulfanylazetidine.

Molecular Properties

Compound Name3-fluoro-3-methylsulfanylazetidine
PubChem CID170103554
Molecular FormulaC4H8FNS
Molecular Weight121.18 g/mol
Exact Mass121.04
IUPAC Name3-fluoro-3-methylsulfanylazetidine
SMILESCSC1(F)CNC1
InChIInChI=1S/C4H8FNS/c1-7-4(5)2-6-3-4/h6H,2-3H2,1H3
InChIKeyDQHPVVLZZRGKKS-UHFFFAOYSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylsulfanylazetidine?
The IUPAC name of 3-fluoro-3-methylsulfanylazetidine (CID 170103554) is 3-fluoro-3-methylsulfanylazetidine.
What is the SMILES notation for 3-fluoro-3-methylsulfanylazetidine?
The canonical SMILES for 3-fluoro-3-methylsulfanylazetidine is CSC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-methylsulfanylazetidine?
The InChIKey is DQHPVVLZZRGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS/c1-7-4(5)2-6-3-4/h6H,2-3H2,1H3.
What are the key properties of 3-fluoro-3-methylsulfanylazetidine?
3-fluoro-3-methylsulfanylazetidine has a molecular weight of 121.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylsulfanylazetidine is sourced from PubChem (CID 170103554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).