N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid

C8H17F3N2O3 — CID 174488749

IUPACN,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(N)=O.CN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO.C3H9N.C2HF3O2/c1-2-3(4)5;1-4(2)3;3-2(4,5)1(6)7/h2H2,1H3,(H2,4,5);1-3H3;(H,6,7)
InChIKeyRZIWFEHNHRZQCE-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.69
Rot. Bonds1

About N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid

N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid (PubChem CID 174488749) has the molecular formula C8H17F3N2O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
PubChem CID174488749
Molecular FormulaC8H17F3N2O3
Molecular Weight246.23 g/mol
Exact Mass246.12
IUPAC NameN,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(N)=O.CN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO.C3H9N.C2HF3O2/c1-2-3(4)5;1-4(2)3;3-2(4,5)1(6)7/h2H2,1H3,(H2,4,5);1-3H3;(H,6,7)
InChIKeyRZIWFEHNHRZQCE-UHFFFAOYSA-N
XLogP0.69
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid (CID 174488749) is N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid is CCC(N)=O.CN(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is RZIWFEHNHRZQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H9N.C2HF3O2/c1-2-3(4)5;1-4(2)3;3-2(4,5)1(6)7/h2H2,1H3,(H2,4,5);1-3H3;(H,6,7).
What are the key properties of N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid?
N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 246.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174488749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).