2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid

C7H9F2NO3 — CID 135165294

IUPAC2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(CC(=O)O)CC(F)F
InChIInChI=1S/C7H9F2NO3/c1-2-6(11)10(3-5(8)9)4-7(12)13/h2,5H,1,3-4H2,(H,12,13)
InChIKeyGLWFAGLWRNAQJQ-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.35
Rot. Bonds5

About 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid

2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid (PubChem CID 135165294) has the molecular formula C7H9F2NO3 and a molecular weight of 193.15 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid
PubChem CID135165294
Molecular FormulaC7H9F2NO3
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(CC(=O)O)CC(F)F
InChIInChI=1S/C7H9F2NO3/c1-2-6(11)10(3-5(8)9)4-7(12)13/h2,5H,1,3-4H2,(H,12,13)
InChIKeyGLWFAGLWRNAQJQ-UHFFFAOYSA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid?
The IUPAC name of 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid (CID 135165294) is 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid is C=CC(=O)N(CC(=O)O)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid?
The InChIKey is GLWFAGLWRNAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3/c1-2-6(11)10(3-5(8)9)4-7(12)13/h2,5H,1,3-4H2,(H,12,13).
What are the key properties of 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid?
2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid has a molecular weight of 193.15 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(prop-2-enoyl)amino]acetic acid is sourced from PubChem (CID 135165294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).