2-(3,3,3-trifluoropropanoylamino)butanoic acid

C7H10F3NO3 — CID 43469637

IUPAC2-(3,3,3-trifluoropropanoylamino)butanoic acid
SMILESCCC(NC(=O)CC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-2-4(6(13)14)11-5(12)3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyLLBPKAQJYHMPIN-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.92
Rot. Bonds4

About 2-(3,3,3-trifluoropropanoylamino)butanoic acid

2-(3,3,3-trifluoropropanoylamino)butanoic acid (PubChem CID 43469637) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropanoylamino)butanoic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropanoylamino)butanoic acid
PubChem CID43469637
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-(3,3,3-trifluoropropanoylamino)butanoic acid
SMILESCCC(NC(=O)CC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-2-4(6(13)14)11-5(12)3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyLLBPKAQJYHMPIN-UHFFFAOYSA-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 2-(3,3,3-trifluoropropanoylamino)butanoic acid?
The IUPAC name of 2-(3,3,3-trifluoropropanoylamino)butanoic acid (CID 43469637) is 2-(3,3,3-trifluoropropanoylamino)butanoic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropanoylamino)butanoic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropanoylamino)butanoic acid is CCC(NC(=O)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(3,3,3-trifluoropropanoylamino)butanoic acid?
The InChIKey is LLBPKAQJYHMPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-2-4(6(13)14)11-5(12)3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3,3,3-trifluoropropanoylamino)butanoic acid?
2-(3,3,3-trifluoropropanoylamino)butanoic 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 2-(3,3,3-trifluoropropanoylamino)butanoic acid is sourced from PubChem (CID 43469637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).