2-acetamido-3,3,3-trifluoropropanoic acid

C5H6F3NO3 — CID 130192291

IUPAC2-acetamido-3,3,3-trifluoropropanoic acid
SMILESCC(=O)NC(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c1-2(10)9-3(4(11)12)5(6,7)8/h3H,1H3,(H,9,10)(H,11,12)
InChIKeyHZNQFCSJODUIPS-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.14
Rot. Bonds2

About 2-acetamido-3,3,3-trifluoropropanoic acid

2-acetamido-3,3,3-trifluoropropanoic acid (PubChem CID 130192291) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2-acetamido-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-acetamido-3,3,3-trifluoropropanoic acid
PubChem CID130192291
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name2-acetamido-3,3,3-trifluoropropanoic acid
SMILESCC(=O)NC(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c1-2(10)9-3(4(11)12)5(6,7)8/h3H,1H3,(H,9,10)(H,11,12)
InChIKeyHZNQFCSJODUIPS-UHFFFAOYSA-N
XLogP0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-acetamido-3,3,3-trifluoropropanoic acid (CID 130192291) is 2-acetamido-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-acetamido-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-acetamido-3,3,3-trifluoropropanoic acid is CC(=O)NC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-acetamido-3,3,3-trifluoropropanoic acid?
The InChIKey is HZNQFCSJODUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3/c1-2(10)9-3(4(11)12)5(6,7)8/h3H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-acetamido-3,3,3-trifluoropropanoic acid?
2-acetamido-3,3,3-trifluoropropanoic acid has a molecular weight of 185.10 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 130192291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).