3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine

C7H12F3NOS — CID 81197732

IUPAC3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine
SMILESO=S(CCC(F)(F)F)CC1CNC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)1-2-13(12)5-6-3-11-4-6/h6,11H,1-5H2
InChIKeyYZRFXHBEDRJVHB-UHFFFAOYSA-N
MW215.24 g/mol
LogP0.91
Rot. Bonds4

About 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine

3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine (PubChem CID 81197732) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine
PubChem CID81197732
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine
SMILESO=S(CCC(F)(F)F)CC1CNC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)1-2-13(12)5-6-3-11-4-6/h6,11H,1-5H2
InChIKeyYZRFXHBEDRJVHB-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine (CID 81197732) is 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine is O=S(CCC(F)(F)F)CC1CNC1.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine?
The InChIKey is YZRFXHBEDRJVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c8-7(9,10)1-2-13(12)5-6-3-11-4-6/h6,11H,1-5H2.
What are the key properties of 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine?
3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine has a molecular weight of 215.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfinylmethyl)azetidine is sourced from PubChem (CID 81197732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).