3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine

C6H10F3NO2S — CID 81197270

IUPAC3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)4-13(11,12)3-5-1-10-2-5/h5,10H,1-4H2
InChIKeyHSNITDZGFJKNMR-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.18
Rot. Bonds3

About 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine

3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine (PubChem CID 81197270) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
PubChem CID81197270
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)4-13(11,12)3-5-1-10-2-5/h5,10H,1-4H2
InChIKeyHSNITDZGFJKNMR-UHFFFAOYSA-N
XLogP0.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 139026412
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CID 166000022
CID 166000022
CID 81197783
CID 81197783
CID 81197960
CID 81197960
CID 81198365
CID 81198365
CID 84082939
CID 84082939
CID 86696859
CID 86696859
CID 156538110
CID 156538110
CID 156538323
CID 156538323
CID 161794354
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CID 161949428
CID 161949428

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine (CID 81197270) is 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine is O=S(=O)(CC1CNC1)CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine?
The InChIKey is HSNITDZGFJKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)4-13(11,12)3-5-1-10-2-5/h5,10H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine?
3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine has a molecular weight of 217.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81197270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).