2-(2,2,2-trifluoroethoxy)ethanesulfonamide

C4H8F3NO3S — CID 61490505

IUPAC2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c5-4(6,7)3-11-1-2-12(8,9)10/h1-3H2,(H2,8,9,10)
InChIKeyBTNPPKFVEDCMLC-UHFFFAOYSA-N
MW207.17 g/mol
LogP-0.15
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxy)ethanesulfonamide

2-(2,2,2-trifluoroethoxy)ethanesulfonamide (PubChem CID 61490505) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethanesulfonamide
PubChem CID61490505
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c5-4(6,7)3-11-1-2-12(8,9)10/h1-3H2,(H2,8,9,10)
InChIKeyBTNPPKFVEDCMLC-UHFFFAOYSA-N
XLogP-0.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-Difluoroethoxy)ethane-1-sulfonamide
CID 75480961
3-(2,2-Difluoroethoxy)propane-1-sulfonyl chloride
CID 82010144
2-(Trifluoromethoxy)ethane-1-sulfonamide
CID 104821786
2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide
CID 146201187
(3S)-3-(trifluoromethoxy)butane-2-sulfonamide
CID 147498682
2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 170009772
3-(2,2,2-Trifluoroethoxy)propane-1-sulfonamide
CID 61491401
3-(2,2,2-Trifluoroethoxy)propane-1-sulfonyl chloride
CID 61491407
2-[2-(2,2,2-Trifluoroethoxy)ethoxy]ethanesulfonamide
CID 64201105
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonamide
CID 64201106
4-(2,2,2-Trifluoroethoxy)butane-1-sulfonamide
CID 64201107
4-(2,2,3,3-Tetrafluoropropoxy)butane-1-sulfonamide
CID 64203383

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanesulfonamide (CID 61490505) is 2-(2,2,2-trifluoroethoxy)ethanesulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethanesulfonamide is NS(=O)(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The InChIKey is BTNPPKFVEDCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c5-4(6,7)3-11-1-2-12(8,9)10/h1-3H2,(H2,8,9,10).
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
2-(2,2,2-trifluoroethoxy)ethanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 61490505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).