2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid

C8H15F3N2O3 — CID 18770733

IUPAC2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)C(N)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-6(2,3)4(7)5(8)9;3-2(4,5)1(6)7/h4H,7H2,1-3H3,(H2,8,9);(H,6,7)
InChIKeyFJUALBHGMMMUHX-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.48
Rot. Bonds1

About 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid

2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 18770733) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID18770733
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)C(N)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-6(2,3)4(7)5(8)9;3-2(4,5)1(6)7/h4H,7H2,1-3H3,(H2,8,9);(H,6,7)
InChIKeyFJUALBHGMMMUHX-UHFFFAOYSA-N
XLogP0.48
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid (CID 18770733) is 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid is CC(C)(C)C(N)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is FJUALBHGMMMUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c1-6(2,3)4(7)5(8)9;3-2(4,5)1(6)7/h4H,7H2,1-3H3,(H2,8,9);(H,6,7).
What are the key properties of 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 244.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18770733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).