3-fluoro-3-(methylsulfanylmethyl)azetidine

C5H10FNS — CID 155290858

IUPAC3-fluoro-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1(F)CNC1
InChIInChI=1S/C5H10FNS/c1-8-4-5(6)2-7-3-5/h7H,2-4H2,1H3
InChIKeyYXXSKIMAPXPESM-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.66
Rot. Bonds2

About 3-fluoro-3-(methylsulfanylmethyl)azetidine

3-fluoro-3-(methylsulfanylmethyl)azetidine (PubChem CID 155290858) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-fluoro-3-(methylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(methylsulfanylmethyl)azetidine
PubChem CID155290858
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name3-fluoro-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1(F)CNC1
InChIInChI=1S/C5H10FNS/c1-8-4-5(6)2-7-3-5/h7H,2-4H2,1H3
InChIKeyYXXSKIMAPXPESM-UHFFFAOYSA-N
XLogP0.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methylsulfanylmethyl)azetidine?
The IUPAC name of 3-fluoro-3-(methylsulfanylmethyl)azetidine (CID 155290858) is 3-fluoro-3-(methylsulfanylmethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(methylsulfanylmethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(methylsulfanylmethyl)azetidine is CSCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(methylsulfanylmethyl)azetidine?
The InChIKey is YXXSKIMAPXPESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c1-8-4-5(6)2-7-3-5/h7H,2-4H2,1H3.
What are the key properties of 3-fluoro-3-(methylsulfanylmethyl)azetidine?
3-fluoro-3-(methylsulfanylmethyl)azetidine has a molecular weight of 135.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methylsulfanylmethyl)azetidine is sourced from PubChem (CID 155290858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).