2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H8F3NO4 — CID 78990607

IUPAC2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccoc1
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)5-13(3-7(14)15)8(16)6-1-2-17-4-6/h1-2,4H,3,5H2,(H,14,15)
InChIKeyONUUNPSVWSAEOU-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.37
Rot. Bonds4

About 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990607) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990607
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccoc1
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)5-13(3-7(14)15)8(16)6-1-2-17-4-6/h1-2,4H,3,5H2,(H,14,15)
InChIKeyONUUNPSVWSAEOU-UHFFFAOYSA-N
XLogP1.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990607) is 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccoc1.
What is the InChIKey of 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ONUUNPSVWSAEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c10-9(11,12)5-13(3-7(14)15)8(16)6-1-2-17-4-6/h1-2,4H,3,5H2,(H,14,15).
What are the key properties of 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 251.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).