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

C7H13F2NO3S — CID 130815618

IUPAC1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(S(=O)(=O)C(F)F)CC1O
InChIInChI=1S/C7H13F2NO3S/c1-2-5-3-10(4-6(5)11)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyPORPIUVVBJQCJG-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.24
Rot. Bonds3

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

1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol (PubChem CID 130815618) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol
PubChem CID130815618
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(S(=O)(=O)C(F)F)CC1O
InChIInChI=1S/C7H13F2NO3S/c1-2-5-3-10(4-6(5)11)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyPORPIUVVBJQCJG-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

(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190
1-(Difluoromethylsulfonyl)pyrrolidin-3-ol
CID 62917981
(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 66291355
(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030730
[3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786088
[1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786537
4-Methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 102959050
1-(Difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 103896706
1-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627552
1-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627562
1-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627598

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol (CID 130815618) is 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol is CCC1CN(S(=O)(=O)C(F)F)CC1O.
What is the InChIKey of 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol?
The InChIKey is PORPIUVVBJQCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-2-5-3-10(4-6(5)11)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol?
1-(difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol 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)-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 130815618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).