2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid

C6H8F5NO4S — CID 139597284

IUPAC2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO4S/c1-2-12(3-4(13)14)17(15,16)6(10,11)5(7,8)9/h2-3H2,1H3,(H,13,14)
InChIKeyUGZSEVFDTINITD-UHFFFAOYSA-N
MW285.19 g/mol
LogP0.88
Rot. Bonds5

About 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid

2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid (PubChem CID 139597284) has the molecular formula C6H8F5NO4S and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid
PubChem CID139597284
Molecular FormulaC6H8F5NO4S
Molecular Weight285.19 g/mol
Exact Mass285.01
IUPAC Name2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO4S/c1-2-12(3-4(13)14)17(15,16)6(10,11)5(7,8)9/h2-3H2,1H3,(H,13,14)
InChIKeyUGZSEVFDTINITD-UHFFFAOYSA-N
XLogP0.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid (CID 139597284) is 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid is CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid?
The InChIKey is UGZSEVFDTINITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO4S/c1-2-12(3-4(13)14)17(15,16)6(10,11)5(7,8)9/h2-3H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid?
2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid has a molecular weight of 285.19 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 139597284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).