2-(2,2-difluoroethyl)-1-methylsulfonylaziridine

C5H9F2NO2S — CID 177385815

IUPAC2-(2,2-difluoroethyl)-1-methylsulfonylaziridine
SMILESCS(=O)(=O)N1CC1CC(F)F
InChIInChI=1S/C5H9F2NO2S/c1-11(9,10)8-3-4(8)2-5(6)7/h4-5H,2-3H2,1H3
InChIKeyZNWAJXDUOFARGE-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.29
Rot. Bonds3

About 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine

2-(2,2-difluoroethyl)-1-methylsulfonylaziridine (PubChem CID 177385815) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1-methylsulfonylaziridine
PubChem CID177385815
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name2-(2,2-difluoroethyl)-1-methylsulfonylaziridine
SMILESCS(=O)(=O)N1CC1CC(F)F
InChIInChI=1S/C5H9F2NO2S/c1-11(9,10)8-3-4(8)2-5(6)7/h4-5H,2-3H2,1H3
InChIKeyZNWAJXDUOFARGE-UHFFFAOYSA-N
XLogP0.29
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.29
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
N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 90425019
1-Methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
CID 129248463
2-(2,2,2-Trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine
CID 155605859
N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
CID 164821552
N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide
CID 167493676
(2S)-2-methyl-1-(trifluoromethylsulfonyl)aziridine
CID 176222761
N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 61384898
2-(2-Iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine
CID 102316644
(2S)-2-[(1R)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316645

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine?
The IUPAC name of 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine (CID 177385815) is 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine is CS(=O)(=O)N1CC1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine?
The InChIKey is ZNWAJXDUOFARGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c1-11(9,10)8-3-4(8)2-5(6)7/h4-5H,2-3H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine?
2-(2,2-difluoroethyl)-1-methylsulfonylaziridine has a molecular weight of 185.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1-methylsulfonylaziridine is sourced from PubChem (CID 177385815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).