2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid

C8H13F2NO3 — CID 165462207

IUPAC2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCO)CC(F)(F)C(=O)O
InChIInChI=1S/C8H13F2NO3/c1-2-3-11(4-5-12)6-8(9,10)7(13)14/h2,12H,1,3-6H2,(H,13,14)
InChIKeyZKNZFTQACGNSKP-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.19
Rot. Bonds7

About 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid

2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid (PubChem CID 165462207) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid
PubChem CID165462207
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCO)CC(F)(F)C(=O)O
InChIInChI=1S/C8H13F2NO3/c1-2-3-11(4-5-12)6-8(9,10)7(13)14/h2,12H,1,3-6H2,(H,13,14)
InChIKeyZKNZFTQACGNSKP-UHFFFAOYSA-N
XLogP0.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid (CID 165462207) is 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid is C=CCN(CCO)CC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is ZKNZFTQACGNSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-2-3-11(4-5-12)6-8(9,10)7(13)14/h2,12H,1,3-6H2,(H,13,14).
What are the key properties of 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid?
2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 209.19 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 165462207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).