(2S)-2-acetamido-5,5,5-trifluoropentanoic acid

C7H10F3NO3 — CID 54205847

IUPAC(2S)-2-acetamido-5,5,5-trifluoropentanoic acid
SMILESCC(=O)N[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-4(12)11-5(6(13)14)2-3-7(8,9)10/h5H,2-3H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1
InChIKeyPSKMOUJLASTLRK-YFKPBYRVSA-N
MW213.15 g/mol
LogP0.92
Rot. Bonds4

About (2S)-2-acetamido-5,5,5-trifluoropentanoic acid

(2S)-2-acetamido-5,5,5-trifluoropentanoic acid (PubChem CID 54205847) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is (2S)-2-acetamido-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-5,5,5-trifluoropentanoic acid
PubChem CID54205847
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name(2S)-2-acetamido-5,5,5-trifluoropentanoic acid
SMILESCC(=O)N[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-4(12)11-5(6(13)14)2-3-7(8,9)10/h5H,2-3H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1
InChIKeyPSKMOUJLASTLRK-YFKPBYRVSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5,5,5-trifluoropentanoic acid?
The IUPAC name of (2S)-2-acetamido-5,5,5-trifluoropentanoic acid (CID 54205847) is (2S)-2-acetamido-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for (2S)-2-acetamido-5,5,5-trifluoropentanoic acid?
The canonical SMILES for (2S)-2-acetamido-5,5,5-trifluoropentanoic acid is CC(=O)N[C@@H](CCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-5,5,5-trifluoropentanoic acid?
The InChIKey is PSKMOUJLASTLRK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-4(12)11-5(6(13)14)2-3-7(8,9)10/h5H,2-3H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-acetamido-5,5,5-trifluoropentanoic acid?
(2S)-2-acetamido-5,5,5-trifluoropentanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 54205847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).