2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid

C8H10F5NO4 — CID 130266771

IUPAC2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO4/c1-14(2-3-18-4-5(15)16)6(17)7(9,10)8(11,12)13/h2-4H2,1H3,(H,15,16)
InChIKeySUNXWDYQQVPJLR-UHFFFAOYSA-N
MW279.16 g/mol
LogP0.74
Rot. Bonds6

About 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid

2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid (PubChem CID 130266771) has the molecular formula C8H10F5NO4 and a molecular weight of 279.16 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid
PubChem CID130266771
Molecular FormulaC8H10F5NO4
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO4/c1-14(2-3-18-4-5(15)16)6(17)7(9,10)8(11,12)13/h2-4H2,1H3,(H,15,16)
InChIKeySUNXWDYQQVPJLR-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid (CID 130266771) is 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid is CN(CCOCC(=O)O)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid?
The InChIKey is SUNXWDYQQVPJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO4/c1-14(2-3-18-4-5(15)16)6(17)7(9,10)8(11,12)13/h2-4H2,1H3,(H,15,16).
What are the key properties of 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid?
2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid has a molecular weight of 279.16 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 130266771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).