2-[(2,2-difluoroacetyl)amino]acetic acid

C4H5F2NO3 — CID 45082063

IUPAC2-[(2,2-difluoroacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C(F)F
InChIInChI=1S/C4H5F2NO3/c5-3(6)4(10)7-1-2(8)9/h3H,1H2,(H,7,10)(H,8,9)
InChIKeyKAWOQXYYRSVAJD-UHFFFAOYSA-N
MW153.08 g/mol
LogP-0.55
Rot. Bonds3

About 2-[(2,2-difluoroacetyl)amino]acetic acid

2-[(2,2-difluoroacetyl)amino]acetic acid (PubChem CID 45082063) has the molecular formula C4H5F2NO3 and a molecular weight of 153.08 g/mol. Its IUPAC name is 2-[(2,2-difluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-difluoroacetyl)amino]acetic acid
PubChem CID45082063
Molecular FormulaC4H5F2NO3
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Name2-[(2,2-difluoroacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C(F)F
InChIInChI=1S/C4H5F2NO3/c5-3(6)4(10)7-1-2(8)9/h3H,1H2,(H,7,10)(H,8,9)
InChIKeyKAWOQXYYRSVAJD-UHFFFAOYSA-N
XLogP-0.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-difluoroacetyl)amino]acetic acid (CID 45082063) is 2-[(2,2-difluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-difluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-difluoroacetyl)amino]acetic acid is O=C(O)CNC(=O)C(F)F.
What is the InChIKey of 2-[(2,2-difluoroacetyl)amino]acetic acid?
The InChIKey is KAWOQXYYRSVAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO3/c5-3(6)4(10)7-1-2(8)9/h3H,1H2,(H,7,10)(H,8,9).
What are the key properties of 2-[(2,2-difluoroacetyl)amino]acetic acid?
2-[(2,2-difluoroacetyl)amino]acetic acid has a molecular weight of 153.08 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroacetyl)amino]acetic acid is sourced from PubChem (CID 45082063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).