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

C8H9F5NO4- — CID 140799711

IUPAC2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
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)/p-1
InChIKeySUNXWDYQQVPJLR-UHFFFAOYSA-M
MW278.15 g/mol
LogP-0.59
Rot. Bonds6

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

2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate (PubChem CID 140799711) has the molecular formula C8H9F5NO4- and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate.

Molecular Properties

Compound Name2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
PubChem CID140799711
Molecular FormulaC8H9F5NO4-
Molecular Weight278.15 g/mol
Exact Mass278.05
IUPAC Name2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
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)/p-1
InChIKeySUNXWDYQQVPJLR-UHFFFAOYSA-M
XLogP-0.59
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]acetate?
The IUPAC name of 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate (CID 140799711) is 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate.
What is the SMILES notation for 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate?
The canonical SMILES for 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate 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]acetate?
The InChIKey is SUNXWDYQQVPJLR-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate?
2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate has a molecular weight of 278.15 g/mol, XLogP of -0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate is sourced from PubChem (CID 140799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).