4-aminobutanamide;2,2,2-trifluoroacetic acid

C6H11F3N2O3 — CID 22337150

IUPAC4-aminobutanamide;2,2,2-trifluoroacetic acid
SMILESNCCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c5-3-1-2-4(6)7;3-2(4,5)1(6)7/h1-3,5H2,(H2,6,7);(H,6,7)
InChIKeyDKQYCTGAGFNDDX-UHFFFAOYSA-N
MW216.16 g/mol
LogP-0.16
Rot. Bonds3

About 4-aminobutanamide;2,2,2-trifluoroacetic acid

4-aminobutanamide;2,2,2-trifluoroacetic acid (PubChem CID 22337150) has the molecular formula C6H11F3N2O3 and a molecular weight of 216.16 g/mol. Its IUPAC name is 4-aminobutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-aminobutanamide;2,2,2-trifluoroacetic acid
PubChem CID22337150
Molecular FormulaC6H11F3N2O3
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC Name4-aminobutanamide;2,2,2-trifluoroacetic acid
SMILESNCCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c5-3-1-2-4(6)7;3-2(4,5)1(6)7/h1-3,5H2,(H2,6,7);(H,6,7)
InChIKeyDKQYCTGAGFNDDX-UHFFFAOYSA-N
XLogP-0.16
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-aminobutanamide;2,2,2-trifluoroacetic acid (CID 22337150) is 4-aminobutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-aminobutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-aminobutanamide;2,2,2-trifluoroacetic acid is NCCCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 4-aminobutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is DKQYCTGAGFNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.C2HF3O2/c5-3-1-2-4(6)7;3-2(4,5)1(6)7/h1-3,5H2,(H2,6,7);(H,6,7).
What are the key properties of 4-aminobutanamide;2,2,2-trifluoroacetic acid?
4-aminobutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 216.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22337150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).