2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid

C7H13F3N2O3 — CID 87076092

IUPAC2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C(N)=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-4(5(6)8)7(2)3;3-2(4,5)1(6)7/h4H,1-3H3,(H2,6,8);(H,6,7)
InChIKeyAWMZVNCVAWZPHN-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.06
Rot. Bonds2

About 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid

2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 87076092) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid
PubChem CID87076092
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C(N)=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-4(5(6)8)7(2)3;3-2(4,5)1(6)7/h4H,1-3H3,(H2,6,8);(H,6,7)
InChIKeyAWMZVNCVAWZPHN-UHFFFAOYSA-N
XLogP0.06
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid (CID 87076092) is 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid is CC(C(N)=O)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is AWMZVNCVAWZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2HF3O2/c1-4(5(6)8)7(2)3;3-2(4,5)1(6)7/h4H,1-3H3,(H2,6,8);(H,6,7).
What are the key properties of 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid?
2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87076092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).