2-methylpropanamide;2,2,2-trifluoroacetic acid

C6H10F3NO3 — CID 19011375

IUPAC2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3(2)4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H,6,7)
InChIKeyBACJMKAKBFUJMX-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.76
Rot. Bonds1

About 2-methylpropanamide;2,2,2-trifluoroacetic acid

2-methylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 19011375) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-methylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID19011375
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3(2)4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H,6,7)
InChIKeyBACJMKAKBFUJMX-UHFFFAOYSA-N
XLogP0.76
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 18329075
2-Methylpropanamide;bis(2,2,2-trifluoroacetic acid)
CID 19011528
Propanamide 2,2,2-trifluoroacetate
CID 21879474
Butanamide;2,2,2-trifluoroacetic acid
CID 22451270
Acetamide trifluoroacetate salt
CID 23071095
3-Methylbutanamide;2,2,2-trifluoroacetic acid
CID 23071178
2-Amino-2-methyl-propionamide trifluoroacetic acid salt
CID 86657584
2-Methylpropanediamide;2,2,2-trifluoroacetic acid
CID 88191462
2-Ethylbutanamide;2,2,2-trifluoroacetic acid
CID 88287220
2,2-Difluoropropanamide;2-fluoroacetic acid
CID 130237623
2,2-Dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 135150266
Propanamide;2,2,2-trifluoroacetic acid
CID 135351358

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methylpropanamide;2,2,2-trifluoroacetic acid (CID 19011375) is 2-methylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methylpropanamide;2,2,2-trifluoroacetic acid is CC(C)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is BACJMKAKBFUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c1-3(2)4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H,6,7).
What are the key properties of 2-methylpropanamide;2,2,2-trifluoroacetic acid?
2-methylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 19011375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).