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

C3H4F3NO2 — CID 2734920

IUPAC2-amino-3,3,3-trifluoropropanoic acid
SMILESNC(C(=O)O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)
InChIKeyHMJQKIDUCWWIBW-UHFFFAOYSA-N
MW143.06 g/mol
LogP-0.04
Rot. Bonds1

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

2-amino-3,3,3-trifluoropropanoic acid (PubChem CID 2734920) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoropropanoic acid
PubChem CID2734920
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Name2-amino-3,3,3-trifluoropropanoic acid
SMILESNC(C(=O)O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)
InChIKeyHMJQKIDUCWWIBW-UHFFFAOYSA-N
XLogP-0.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-amino-3,3,3-trifluoropropanoic acid (CID 2734920) is 2-amino-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-amino-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-amino-3,3,3-trifluoropropanoic acid is NC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoropropanoic acid?
The InChIKey is HMJQKIDUCWWIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9).
What are the key properties of 2-amino-3,3,3-trifluoropropanoic acid?
2-amino-3,3,3-trifluoropropanoic acid has a molecular weight of 143.06 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 2734920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).