1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol

C7H13F2NO3S — CID 130921630

IUPAC1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(S(=O)(=O)C(F)F)CC1O
InChIInChI=1S/C7H13F2NO3S/c1-7(2)4-10(3-5(7)11)14(12,13)6(8)9/h5-6,11H,3-4H2,1-2H3
InChIKeyQCLYFGWESDJDNW-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.24
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol

1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol (PubChem CID 130921630) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
PubChem CID130921630
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(S(=O)(=O)C(F)F)CC1O
InChIInChI=1S/C7H13F2NO3S/c1-7(2)4-10(3-5(7)11)14(12,13)6(8)9/h5-6,11H,3-4H2,1-2H3
InChIKeyQCLYFGWESDJDNW-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536487
(3R,4R)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536488
1-(Difluoromethylsulfonyl)pyrrolidin-3-ol
CID 62917981
1-(Trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 62918646
(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 66291355
(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 66291493
(3S)-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030729
(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030730
(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol
CID 79410108
1-Methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86769483
(3R)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217918
(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217919

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol (CID 130921630) is 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol is CC1(C)CN(S(=O)(=O)C(F)F)CC1O.
What is the InChIKey of 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is QCLYFGWESDJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-7(2)4-10(3-5(7)11)14(12,13)6(8)9/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol?
1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 229.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 130921630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).