butanamide;2,2,2-trifluoroacetic acid

C6H10F3NO3 — CID 22451270

IUPACbutanamide;2,2,2-trifluoroacetic acid
SMILESCCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-2-3-4(5)6;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,5,6);(H,6,7)
InChIKeySTXLEBDCAKUIQT-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.91
Rot. Bonds2

About butanamide;2,2,2-trifluoroacetic acid

butanamide;2,2,2-trifluoroacetic acid (PubChem CID 22451270) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebutanamide;2,2,2-trifluoroacetic acid
PubChem CID22451270
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namebutanamide;2,2,2-trifluoroacetic acid
SMILESCCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-2-3-4(5)6;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,5,6);(H,6,7)
InChIKeySTXLEBDCAKUIQT-UHFFFAOYSA-N
XLogP0.91
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of butanamide;2,2,2-trifluoroacetic acid (CID 22451270) is butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for butanamide;2,2,2-trifluoroacetic acid is CCCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is STXLEBDCAKUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c1-2-3-4(5)6;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,5,6);(H,6,7).
What are the key properties of butanamide;2,2,2-trifluoroacetic acid?
butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22451270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).