2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide

C7H12F3NO3S — CID 114827684

IUPAC2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide
SMILESCC1CCC(C(C(F)(F)F)S(N)(=O)=O)O1
InChIInChI=1S/C7H12F3NO3S/c1-4-2-3-5(14-4)6(7(8,9)10)15(11,12)13/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyWFDCKLBDSSCGCL-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.77
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide

2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide (PubChem CID 114827684) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide
PubChem CID114827684
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide
SMILESCC1CCC(C(C(F)(F)F)S(N)(=O)=O)O1
InChIInChI=1S/C7H12F3NO3S/c1-4-2-3-5(14-4)6(7(8,9)10)15(11,12)13/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyWFDCKLBDSSCGCL-UHFFFAOYSA-N
XLogP0.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxolan-2-yl)ethane-1-sulfonamide
CID 65162856
2,2,2-Trifluoro-1-(oxolan-2-yl)ethane-1-sulfonyl chloride
CID 75480360
6-(1,1,1-Trifluoropropan-2-yloxy)hexane-1-sulfonamide
CID 66277696
1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
CID 82714351
(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethanesulfonyl chloride
CID 97960545
(1S)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 97960546
(1R)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethanesulfonyl chloride
CID 97960547
(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 97960548
6-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)hexane-1-sulfonamide
CID 102723453
9-(1,1,1-Trifluoropropan-2-yloxy)nonane-1-sulfonamide
CID 105343937
2,2,2-Trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride
CID 114827472
2,2,2-Trifluoro-1-(oxolan-2-yl)ethane-1-sulfonamide
CID 114827744

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide (CID 114827684) is 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide is CC1CCC(C(C(F)(F)F)S(N)(=O)=O)O1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide?
The InChIKey is WFDCKLBDSSCGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-4-2-3-5(14-4)6(7(8,9)10)15(11,12)13/h4-6H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide?
2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonamide has a molecular weight of 247.24 g/mol, XLogP of 0.77, 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-(5-methyloxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 114827684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).