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

C11H20F3NO3S — CID 83060125

IUPAC3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)6-3-9-19(17,18)15-7-1-4-10(15)5-2-8-16/h10,16H,1-9H2
InChIKeyPLKQAJZTOOSEIL-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.90
Rot. Bonds7

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

3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 83060125) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID83060125
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)6-3-9-19(17,18)15-7-1-4-10(15)5-2-8-16/h10,16H,1-9H2
InChIKeyPLKQAJZTOOSEIL-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol (CID 83060125) is 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol is O=S(=O)(CCCC(F)(F)F)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is PLKQAJZTOOSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c12-11(13,14)6-3-9-19(17,18)15-7-1-4-10(15)5-2-8-16/h10,16H,1-9H2.
What are the key properties of 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 303.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 83060125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).