2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine

C7H10F3NO2S — CID 10988035

IUPAC2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine
SMILESC=CC1(C)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c1-3-6(2)4-5-11(6)14(12,13)7(8,9)10/h3H,1,4-5H2,2H3
InChIKeyYKCNLDSZPJNQMQ-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.49
Rot. Bonds2

About 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine

2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine (PubChem CID 10988035) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine
PubChem CID10988035
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine
SMILESC=CC1(C)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c1-3-6(2)4-5-11(6)14(12,13)7(8,9)10/h3H,1,4-5H2,2H3
InChIKeyYKCNLDSZPJNQMQ-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 101421059
4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
CID 81103098
3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
CID 123629088
2-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83075818
3,3-dimethyl-4-(trifluoromethylsulfonyl)piperazine-2,6-dione
CID 66075966
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
1,2-bis(ethenyl)-2-methylpyrrolidine
CID 134972345
2-ethenyl-2-methyl-1-propan-2-ylpyrrolidine
CID 129119781
2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 163429362
(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide
CID 177059800
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
(3R,4R)-3,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 86276442

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine?
The IUPAC name of 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine (CID 10988035) is 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine.
What is the SMILES notation for 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine?
The canonical SMILES for 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine is C=CC1(C)CCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine?
The InChIKey is YKCNLDSZPJNQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c1-3-6(2)4-5-11(6)14(12,13)7(8,9)10/h3H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine?
2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine has a molecular weight of 229.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine is sourced from PubChem (CID 10988035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).