2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide

C7H14F3NO4S — CID 66274902

IUPAC2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide
SMILESCC(OCCOCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S/c1-6(7(8,9)10)15-3-2-14-4-5-16(11,12)13/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyKRDUEDVLQVPRLO-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.26
Rot. Bonds7

About 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide

2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide (PubChem CID 66274902) has the molecular formula C7H14F3NO4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide
PubChem CID66274902
Molecular FormulaC7H14F3NO4S
Molecular Weight265.25 g/mol
Exact Mass265.06
IUPAC Name2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide
SMILESCC(OCCOCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S/c1-6(7(8,9)10)15-3-2-14-4-5-16(11,12)13/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyKRDUEDVLQVPRLO-UHFFFAOYSA-N
XLogP0.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide?
The IUPAC name of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide (CID 66274902) is 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide.
What is the SMILES notation for 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide?
The canonical SMILES for 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide is CC(OCCOCCS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide?
The InChIKey is KRDUEDVLQVPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO4S/c1-6(7(8,9)10)15-3-2-14-4-5-16(11,12)13/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide?
2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide has a molecular weight of 265.25 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide is sourced from PubChem (CID 66274902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).