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

C13H22F3NO3S — CID 83047782

IUPAC2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H22F3NO3S/c14-13(15,16)7-3-9-21(19,20)17-8-2-5-11(17)10-4-1-6-12(10)18/h10-12,18H,1-9H2
InChIKeyXVXGCHDITUXUOO-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.28
Rot. Bonds5

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

2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 83047782) has the molecular formula C13H22F3NO3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID83047782
Molecular FormulaC13H22F3NO3S
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H22F3NO3S/c14-13(15,16)7-3-9-21(19,20)17-8-2-5-11(17)10-4-1-6-12(10)18/h10-12,18H,1-9H2
InChIKeyXVXGCHDITUXUOO-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 83047782) is 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol is O=S(=O)(CCCC(F)(F)F)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is XVXGCHDITUXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3S/c14-13(15,16)7-3-9-21(19,20)17-8-2-5-11(17)10-4-1-6-12(10)18/h10-12,18H,1-9H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 329.38 g/mol, XLogP of 2.28, 5 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-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 83047782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).