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

C11H20F3NO3S — CID 83059717

IUPAC1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c1-9(16)8-10-4-2-6-15(10)19(17,18)7-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyPFWMVADZYLSUIW-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.89
Rot. Bonds6

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

1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 83059717) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID83059717
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c1-9(16)8-10-4-2-6-15(10)19(17,18)7-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyPFWMVADZYLSUIW-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol (CID 83059717) is 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is PFWMVADZYLSUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-9(16)8-10-4-2-6-15(10)19(17,18)7-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 303.35 g/mol, XLogP of 1.89, 6 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-2-yl]propan-2-ol is sourced from PubChem (CID 83059717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).