1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine

C6H10F3NS — CID 166546653

IUPAC1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine
SMILESCN1CC(CSC(F)(F)F)C1
InChIInChI=1S/C6H10F3NS/c1-10-2-5(3-10)4-11-6(7,8)9/h5H,2-4H2,1H3
InChIKeyBSXGZVWXVRAUGK-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.80
Rot. Bonds2

About 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine

1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine (PubChem CID 166546653) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine
PubChem CID166546653
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine
SMILESCN1CC(CSC(F)(F)F)C1
InChIInChI=1S/C6H10F3NS/c1-10-2-5(3-10)4-11-6(7,8)9/h5H,2-4H2,1H3
InChIKeyBSXGZVWXVRAUGK-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Ethylsulfanylethyl)-2,2-difluoro-1-methylazetidine
CID 129024828
2-(3,3-Difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-lambda4-sulfane
CID 135176666
3-Fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine
CID 154977326
3,3-Difluoro-1-(1-methylsulfanylethyl)azetidine
CID 155302600
3,3-Difluoro-1-(propan-2-ylsulfanylmethyl)azetidine
CID 167057578
1-Iodo-3-(trifluoromethylsulfanylmethyl)azetidine
CID 167278316
1-Sulfanyl-3-(trifluoromethylsulfanylmethyl)azetidine
CID 167278317
3,3-Difluoro-1-(2-methylsulfanylethyl)azetidine
CID 170027568
3-Fluoro-1-(3-methylsulfanylpropyl)azetidine
CID 170133121
3-(Ethylsulfanylmethyl)-1-methylazetidine
CID 137474433
1-Methyl-3-(methylsulfanylmethyl)azetidine
CID 141209983

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine?
The IUPAC name of 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine (CID 166546653) is 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine?
The canonical SMILES for 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine is CN1CC(CSC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine?
The InChIKey is BSXGZVWXVRAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-10-2-5(3-10)4-11-6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine?
1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine has a molecular weight of 185.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethylsulfanylmethyl)azetidine is sourced from PubChem (CID 166546653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).