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

C6H10F3NO3 — CID 174850119

IUPACN-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)NC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3-4(6)5-2;3-2(4,5)1(6)7/h3H2,1-2H3,(H,5,6);(H,6,7)
InChIKeyQBFPJAXMFBEKKC-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.78
Rot. Bonds1

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

N-methylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 174850119) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is N-methylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID174850119
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC NameN-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)NC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3-4(6)5-2;3-2(4,5)1(6)7/h3H2,1-2H3,(H,5,6);(H,6,7)
InChIKeyQBFPJAXMFBEKKC-UHFFFAOYSA-N
XLogP0.78
TPSA66.40 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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylacetamide;2,2,2-trifluoroacetic acid
CID 22626395
(Propanoylamino)methyl 2,2,2-trifluoroacetate
CID 59001870
Butyl-methylamine trifluoroacetic acid salt
CID 85705623
3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 87228836
N'-methylpropanediamide;2,2,2-trifluoroacetic acid
CID 88057755
4-(Methylamino)butanamide;2,2,2-trifluoroacetic acid
CID 88645678
3-(Methylamino)propanamide;2,2,2-trifluoroacetic acid
CID 118076507
N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 130237605
ethane;3,3,3-trifluoro-N-methylpropanamide
CID 144293353
N-(3-Aminopropyl)acetamide 2,2,2-trifluoroacetate
CID 155291138
N-methylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 172853683
N-ethylacetamide;2,2,2-trifluoroacetic acid
CID 175699146

Frequently Asked Questions

What is the IUPAC name of N-methylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylpropanamide;2,2,2-trifluoroacetic acid (CID 174850119) is N-methylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylpropanamide;2,2,2-trifluoroacetic acid is CCC(=O)NC.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is QBFPJAXMFBEKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c1-3-4(6)5-2;3-2(4,5)1(6)7/h3H2,1-2H3,(H,5,6);(H,6,7).
What are the key properties of N-methylpropanamide;2,2,2-trifluoroacetic acid?
N-methylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174850119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).