3-(2-fluoroethylsulfinylmethyl)azetidine

C6H12FNOS — CID 81196254

IUPAC3-(2-fluoroethylsulfinylmethyl)azetidine
SMILESO=S(CCF)CC1CNC1
InChIInChI=1S/C6H12FNOS/c7-1-2-10(9)5-6-3-8-4-6/h6,8H,1-5H2
InChIKeyPJUKYZKICXJEHY-UHFFFAOYSA-N
MW165.23 g/mol
LogP-0.08
Rot. Bonds4

About 3-(2-fluoroethylsulfinylmethyl)azetidine

3-(2-fluoroethylsulfinylmethyl)azetidine (PubChem CID 81196254) has the molecular formula C6H12FNOS and a molecular weight of 165.23 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfinylmethyl)azetidine
PubChem CID81196254
Molecular FormulaC6H12FNOS
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC Name3-(2-fluoroethylsulfinylmethyl)azetidine
SMILESO=S(CCF)CC1CNC1
InChIInChI=1S/C6H12FNOS/c7-1-2-10(9)5-6-3-8-4-6/h6,8H,1-5H2
InChIKeyPJUKYZKICXJEHY-UHFFFAOYSA-N
XLogP-0.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(2-fluoroethylsulfinylmethyl)azetidine (CID 81196254) is 3-(2-fluoroethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(2-fluoroethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(2-fluoroethylsulfinylmethyl)azetidine is O=S(CCF)CC1CNC1.
What is the InChIKey of 3-(2-fluoroethylsulfinylmethyl)azetidine?
The InChIKey is PJUKYZKICXJEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNOS/c7-1-2-10(9)5-6-3-8-4-6/h6,8H,1-5H2.
What are the key properties of 3-(2-fluoroethylsulfinylmethyl)azetidine?
3-(2-fluoroethylsulfinylmethyl)azetidine has a molecular weight of 165.23 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81196254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).