1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol

C8H14F3NO3S — CID 83058376

IUPAC1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(O)C1
InChIInChI=1S/C8H14F3NO3S/c9-8(10,11)3-1-5-16(14,15)12-4-2-7(13)6-12/h7,13H,1-6H2
InChIKeyOQFUGWKAPZZWAT-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.73
Rot. Bonds4

About 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol

1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol (PubChem CID 83058376) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
PubChem CID83058376
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(O)C1
InChIInChI=1S/C8H14F3NO3S/c9-8(10,11)3-1-5-16(14,15)12-4-2-7(13)6-12/h7,13H,1-6H2
InChIKeyOQFUGWKAPZZWAT-UHFFFAOYSA-N
XLogP0.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol (CID 83058376) is 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol is O=S(=O)(CCCC(F)(F)F)N1CCC(O)C1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol?
The InChIKey is OQFUGWKAPZZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c9-8(10,11)3-1-5-16(14,15)12-4-2-7(13)6-12/h7,13H,1-6H2.
What are the key properties of 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol?
1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol has a molecular weight of 261.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 83058376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).