1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol

C7H13F2NO3S — CID 112627598

IUPAC1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO3S/c1-5(11)6-2-3-10(4-6)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyIPABARIEOXFUHH-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.24
Rot. Bonds3

About 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol

1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627598) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID112627598
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO3S/c1-5(11)6-2-3-10(4-6)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyIPABARIEOXFUHH-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-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
(3-Fluoro-1-(methylsulfonyl)pyrrolidin-3-yl)methanol
CID 131106940
(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370819
[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62372919
1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylmethanesulfonamide
CID 65996383
1-[1-(Difluoromethylsulfonyl)piperidin-4-yl]ethanol
CID 103834568
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
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314
3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809756

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol (CID 112627598) is 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is IPABARIEOXFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-5(11)6-2-3-10(4-6)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol 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-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).