1-(trifluoromethylsulfonyl)pyrrolidin-3-ol

C5H8F3NO3S — CID 62918646

IUPAC1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c6-5(7,8)13(11,12)9-2-1-4(10)3-9/h4,10H,1-3H2
InChIKeyKBWZVAAAJDYMIJ-UHFFFAOYSA-N
MW219.18 g/mol
LogP-0.10
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol

1-(trifluoromethylsulfonyl)pyrrolidin-3-ol (PubChem CID 62918646) has the molecular formula C5H8F3NO3S and a molecular weight of 219.18 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
PubChem CID62918646
Molecular FormulaC5H8F3NO3S
Molecular Weight219.18 g/mol
Exact Mass219.02
IUPAC Name1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c6-5(7,8)13(11,12)9-2-1-4(10)3-9/h4,10H,1-3H2
InChIKeyKBWZVAAAJDYMIJ-UHFFFAOYSA-N
XLogP-0.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol (CID 62918646) is 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(N1CCC(O)C1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is KBWZVAAAJDYMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S/c6-5(7,8)13(11,12)9-2-1-4(10)3-9/h4,10H,1-3H2.
What are the key properties of 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol?
1-(trifluoromethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 219.18 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 62918646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).