1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol

C6H11F2NO3S — CID 130694886

IUPAC1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(S(=O)(=O)C(F)F)CC1O
InChIInChI=1S/C6H11F2NO3S/c1-4-2-9(3-5(4)10)13(11,12)6(7)8/h4-6,10H,2-3H2,1H3
InChIKeyAYZQJQVMZOGQQE-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.15
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol

1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol (PubChem CID 130694886) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol
PubChem CID130694886
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(S(=O)(=O)C(F)F)CC1O
InChIInChI=1S/C6H11F2NO3S/c1-4-2-9(3-5(4)10)13(11,12)6(7)8/h4-6,10H,2-3H2,1H3
InChIKeyAYZQJQVMZOGQQE-UHFFFAOYSA-N
XLogP-0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpyrrolidin-3-ol
CID 20745843
(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536487
(3R,4R)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536488
(3R,4R)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267396
(3S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267397
(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 161168448
[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370819
[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62372919
1-(Difluoromethylsulfonyl)pyrrolidin-3-ol
CID 62917981
1-(Trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 62918646
(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 66291355

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol (CID 130694886) is 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol is CC1CN(S(=O)(=O)C(F)F)CC1O.
What is the InChIKey of 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol?
The InChIKey is AYZQJQVMZOGQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-4-2-9(3-5(4)10)13(11,12)6(7)8/h4-6,10H,2-3H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol?
1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol has a molecular weight of 215.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130694886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).