1-cyclopropylsulfonyl-3,3-difluoroazetidine

C6H9F2NO2S — CID 122269491

IUPAC1-cyclopropylsulfonyl-3,3-difluoroazetidine
SMILESO=S(=O)(C1CC1)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2S/c7-6(8)3-9(4-6)12(10,11)5-1-2-5/h5H,1-4H2
InChIKeyIUIPGXWHOFBKEQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.43
Rot. Bonds2

About 1-cyclopropylsulfonyl-3,3-difluoroazetidine

1-cyclopropylsulfonyl-3,3-difluoroazetidine (PubChem CID 122269491) has the molecular formula C6H9F2NO2S and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3,3-difluoroazetidine
PubChem CID122269491
Molecular FormulaC6H9F2NO2S
Molecular Weight197.21 g/mol
Exact Mass197.03
IUPAC Name1-cyclopropylsulfonyl-3,3-difluoroazetidine
SMILESO=S(=O)(C1CC1)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2S/c7-6(8)3-9(4-6)12(10,11)5-1-2-5/h5H,1-4H2
InChIKeyIUIPGXWHOFBKEQ-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropylsulfonyl-3-(2,2-difluoroethyl)azetidine
CID 132299973
1-Ethylsulfonyl-3,3-difluoroazetidine
CID 122269489
3,3-Difluoro-1-propan-2-ylsulfonylazetidine
CID 122269492
1-(3,3,3-Trifluoropropylsulfonyl)azetidine
CID 153912884
N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide
CID 164821569
1-(2,2-Dimethylpropylsulfonyl)-3,3-difluoroazetidine
CID 167544020
3,3-Difluoro-1-(isobutylsulfonyl)azetidine
CID 122269503
1-Cyclopropylsulfonyl-3-fluoro-3-methylazetidine
CID 131131845
1-(2,2-Difluoroethanesulfonyl)azetidine
CID 164660591
1-(Cyclopropanesulfonimidoyl)-3,3-difluoroazetidine hydrochloride
CID 172898695
Cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-lambda6-sulfane
CID 172898696
1-Cyclopropylsulfonylazetidine
CID 129182362

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3,3-difluoroazetidine?
The IUPAC name of 1-cyclopropylsulfonyl-3,3-difluoroazetidine (CID 122269491) is 1-cyclopropylsulfonyl-3,3-difluoroazetidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3,3-difluoroazetidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3,3-difluoroazetidine is O=S(=O)(C1CC1)N1CC(F)(F)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3,3-difluoroazetidine?
The InChIKey is IUIPGXWHOFBKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2S/c7-6(8)3-9(4-6)12(10,11)5-1-2-5/h5H,1-4H2.
What are the key properties of 1-cyclopropylsulfonyl-3,3-difluoroazetidine?
1-cyclopropylsulfonyl-3,3-difluoroazetidine has a molecular weight of 197.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3,3-difluoroazetidine is sourced from PubChem (CID 122269491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).