3-(trifluoromethylsulfinylmethyl)azetidine

C5H8F3NOS — CID 81198365

IUPAC3-(trifluoromethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NOS/c6-5(7,8)11(10)3-4-1-9-2-4/h4,9H,1-3H2
InChIKeyWUJRNNKRTCNRCG-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.47
Rot. Bonds2

About 3-(trifluoromethylsulfinylmethyl)azetidine

3-(trifluoromethylsulfinylmethyl)azetidine (PubChem CID 81198365) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(trifluoromethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(trifluoromethylsulfinylmethyl)azetidine
PubChem CID81198365
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC Name3-(trifluoromethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NOS/c6-5(7,8)11(10)3-4-1-9-2-4/h4,9H,1-3H2
InChIKeyWUJRNNKRTCNRCG-UHFFFAOYSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(trifluoromethylsulfinylmethyl)azetidine (CID 81198365) is 3-(trifluoromethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(trifluoromethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(trifluoromethylsulfinylmethyl)azetidine is O=S(CC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfinylmethyl)azetidine?
The InChIKey is WUJRNNKRTCNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c6-5(7,8)11(10)3-4-1-9-2-4/h4,9H,1-3H2.
What are the key properties of 3-(trifluoromethylsulfinylmethyl)azetidine?
3-(trifluoromethylsulfinylmethyl)azetidine has a molecular weight of 187.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81198365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).