1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol

C10H18F3NO3S — CID 112627562

IUPAC1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO3S/c1-8(15)9-3-5-14(7-9)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyQSNUWSVOOPXDME-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds5

About 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol

1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627562) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID112627562
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO3S/c1-8(15)9-3-5-14(7-9)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyQSNUWSVOOPXDME-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

2,2,2-Trifluoro-1-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanol
CID 75427686
[(3S)-1-pentylsulfonylpyrrolidin-3-yl]methanol
CID 97306346
2,2,2-Trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 71916120
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide
CID 83059097
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol
CID 83059844
(1S)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098892
(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098893
(1S)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321855
(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321856
(1S)-2,2,2-trifluoro-1-[1-[[(3S)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321857
(1R)-2,2,2-trifluoro-1-[1-[[(3S)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321858
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]ethanol
CID 103943153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol (CID 112627562) is 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is QSNUWSVOOPXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(15)9-3-5-14(7-9)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).