[1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol

C7H13F2NO3S — CID 127006329

IUPAC[1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO3S/c1-7(5-11)2-3-10(4-7)14(12,13)6(8)9/h6,11H,2-5H2,1H3
InChIKeyZGKUCWLTFVFMRM-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.24
Rot. Bonds3

About [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol

[1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol (PubChem CID 127006329) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
PubChem CID127006329
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name[1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO3S/c1-7(5-11)2-3-10(4-7)14(12,13)6(8)9/h6,11H,2-5H2,1H3
InChIKeyZGKUCWLTFVFMRM-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(1-Methanesulfonylpyrrolidin-3-yl)methanol
CID 62370439
(3-Fluoro-1-(methylsulfonyl)pyrrolidin-3-yl)methanol
CID 131106940
[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370819
[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62372919
1-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627598
(1-Ethylsulfonyl-3-fluoropyrrolidin-3-yl)methanol
CID 128290349
[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 130650545
1-(Difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 130921630
[(3S)-1-Methanesulfonylpyrrolidin-3-yl]methanol
CID 124434359
[(3R)-1-Methanesulfonylpyrrolidin-3-yl]methanol
CID 124434360
[1-(Chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
CID 130978989

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol (CID 127006329) is [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol is CC1(CO)CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
The InChIKey is ZGKUCWLTFVFMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-7(5-11)2-3-10(4-7)14(12,13)6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
[1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol has a molecular weight of 229.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 127006329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).