2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol

C10H18F3NO3S — CID 115967735

IUPAC2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-14)3-6-15/h9,15H,1-8H2
InChIKeySQEDCBMHCIERLJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol

2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 115967735) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID115967735
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-14)3-6-15/h9,15H,1-8H2
InChIKeySQEDCBMHCIERLJ-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]methanol
CID 83057919
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol
CID 83059844
[3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786382
1-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627562
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314
2-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744903
2-[1-(3,3-Dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 103820089
4-(3-Ethylpyrrolidin-1-yl)sulfonylbutan-1-ol
CID 104497072
3-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol
CID 104550575
3-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol
CID 104550594
5-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol
CID 106159309
2-Methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 106159312

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol (CID 115967735) is 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol is O=S(=O)(CCCC(F)(F)F)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is SQEDCBMHCIERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-14)3-6-15/h9,15H,1-8H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol?
2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).