3-amino-2,2,3-trifluoropropanoic acid

C3H4F3NO2 — CID 20508328

IUPAC3-amino-2,2,3-trifluoropropanoic acid
SMILESNC(F)C(F)(F)C(=O)O
InChIInChI=1S/C3H4F3NO2/c4-1(7)3(5,6)2(8)9/h1H,7H2,(H,8,9)
InChIKeyJMKNPSHDAMCMNT-UHFFFAOYSA-N
MW143.06 g/mol
LogP-0.04
Rot. Bonds2

About 3-amino-2,2,3-trifluoropropanoic acid

3-amino-2,2,3-trifluoropropanoic acid (PubChem CID 20508328) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is 3-amino-2,2,3-trifluoropropanoic acid.

Molecular Properties

Compound Name3-amino-2,2,3-trifluoropropanoic acid
PubChem CID20508328
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Name3-amino-2,2,3-trifluoropropanoic acid
SMILESNC(F)C(F)(F)C(=O)O
InChIInChI=1S/C3H4F3NO2/c4-1(7)3(5,6)2(8)9/h1H,7H2,(H,8,9)
InChIKeyJMKNPSHDAMCMNT-UHFFFAOYSA-N
XLogP-0.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trifluoropropanoic acid?
The IUPAC name of 3-amino-2,2,3-trifluoropropanoic acid (CID 20508328) is 3-amino-2,2,3-trifluoropropanoic acid.
What is the SMILES notation for 3-amino-2,2,3-trifluoropropanoic acid?
The canonical SMILES for 3-amino-2,2,3-trifluoropropanoic acid is NC(F)C(F)(F)C(=O)O.
What is the InChIKey of 3-amino-2,2,3-trifluoropropanoic acid?
The InChIKey is JMKNPSHDAMCMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c4-1(7)3(5,6)2(8)9/h1H,7H2,(H,8,9).
What are the key properties of 3-amino-2,2,3-trifluoropropanoic acid?
3-amino-2,2,3-trifluoropropanoic acid has a molecular weight of 143.06 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trifluoropropanoic acid is sourced from PubChem (CID 20508328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).