2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine

C5H5F6NO2S — CID 155605859

IUPAC2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine
SMILESO=S(=O)(N1CC1CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO2S/c6-4(7,8)1-3-2-12(3)15(13,14)5(9,10)11/h3H,1-2H2
InChIKeyNAUUSZJSYPFLNT-UHFFFAOYSA-N
MW257.15 g/mol
LogP1.47
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine

2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine (PubChem CID 155605859) has the molecular formula C5H5F6NO2S and a molecular weight of 257.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine
PubChem CID155605859
Molecular FormulaC5H5F6NO2S
Molecular Weight257.15 g/mol
Exact Mass256.99
IUPAC Name2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine
SMILESO=S(=O)(N1CC1CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO2S/c6-4(7,8)1-3-2-12(3)15(13,14)5(9,10)11/h3H,1-2H2
InChIKeyNAUUSZJSYPFLNT-UHFFFAOYSA-N
XLogP1.47
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 12022731
2-(Propan-2-yl)-1-(trifluoromethanesulfonyl)aziridine
CID 23251553
(2R)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 87665109
1-Methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
CID 129248463
(2S)-2-methyl-1-(trifluoromethylsulfonyl)aziridine
CID 176222761
(2S)-2-[(1R)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316645
(2R)-2-[(1S)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316646
(2S)-2-[(1S)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316647
(2R)-2-[(1R)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316648
(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine
CID 102330069
2-(2,2-Difluoroethyl)-1-methylsulfonylaziridine
CID 177385815

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine (CID 155605859) is 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine is O=S(=O)(N1CC1CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine?
The InChIKey is NAUUSZJSYPFLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO2S/c6-4(7,8)1-3-2-12(3)15(13,14)5(9,10)11/h3H,1-2H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine?
2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine has a molecular weight of 257.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine is sourced from PubChem (CID 155605859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).