2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine

C6H9F3INO2S — CID 102316644

IUPAC2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine
SMILESCC(C)(I)C1CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H9F3INO2S/c1-5(2,10)4-3-11(4)14(12,13)6(7,8)9/h4H,3H2,1-2H3
InChIKeyRSNUHGHQQGAYJG-UHFFFAOYSA-N
MW343.11 g/mol
LogP1.73
Rot. Bonds2

About 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine

2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine (PubChem CID 102316644) has the molecular formula C6H9F3INO2S and a molecular weight of 343.11 g/mol. Its IUPAC name is 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine.

Molecular Properties

Compound Name2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine
PubChem CID102316644
Molecular FormulaC6H9F3INO2S
Molecular Weight343.11 g/mol
Exact Mass342.94
IUPAC Name2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine
SMILESCC(C)(I)C1CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H9F3INO2S/c1-5(2,10)4-3-11(4)14(12,13)6(7,8)9/h4H,3H2,1-2H3
InChIKeyRSNUHGHQQGAYJG-UHFFFAOYSA-N
XLogP1.73
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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
2-(Iodomethyl)-2-methyl-1-(trifluoromethylsulfonyl)aziridine
CID 102316641
(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
(2S)-2-tert-butyl-1-(trifluoromethylsulfonyl)aziridine
CID 102330070
2-(2,2-Difluoroethyl)-1-methylsulfonylaziridine
CID 177385815

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine?
The IUPAC name of 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine (CID 102316644) is 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine.
What is the SMILES notation for 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine?
The canonical SMILES for 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine is CC(C)(I)C1CN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine?
The InChIKey is RSNUHGHQQGAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3INO2S/c1-5(2,10)4-3-11(4)14(12,13)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine?
2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine has a molecular weight of 343.11 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine is sourced from PubChem (CID 102316644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).