5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol

C11H20F3NO3S — CID 123708047

IUPAC5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol
SMILESO=S(=O)(CCCC1CC(O)CN1)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)4-2-6-19(17,18)5-1-3-9-7-10(16)8-15-9/h9-10,15-16H,1-8H2
InChIKeyCFYTWECMVQEROW-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.25
Rot. Bonds7

About 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol

5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol (PubChem CID 123708047) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol
PubChem CID123708047
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol
SMILESO=S(=O)(CCCC1CC(O)CN1)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)4-2-6-19(17,18)5-1-3-9-7-10(16)8-15-9/h9-10,15-16H,1-8H2
InChIKeyCFYTWECMVQEROW-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol?
The IUPAC name of 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol (CID 123708047) is 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol is O=S(=O)(CCCC1CC(O)CN1)CCCC(F)(F)F.
What is the InChIKey of 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol?
The InChIKey is CFYTWECMVQEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c12-11(13,14)4-2-6-19(17,18)5-1-3-9-7-10(16)8-15-9/h9-10,15-16H,1-8H2.
What are the key properties of 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol?
5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol has a molecular weight of 303.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 123708047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).