2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide

C6H10F3NO3S — CID 114827744

IUPAC2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide
SMILESNS(=O)(=O)C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)5(14(10,11)12)4-2-1-3-13-4/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyGSFSHZJCJVCDQA-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.38
Rot. Bonds2

About 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide

2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide (PubChem CID 114827744) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide
PubChem CID114827744
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide
SMILESNS(=O)(=O)C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)5(14(10,11)12)4-2-1-3-13-4/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyGSFSHZJCJVCDQA-UHFFFAOYSA-N
XLogP0.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide (CID 114827744) is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide is NS(=O)(=O)C(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is GSFSHZJCJVCDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)5(14(10,11)12)4-2-1-3-13-4/h4-5H,1-3H2,(H2,10,11,12).
What are the key properties of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide?
2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 233.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 114827744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).