N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 130237605

IUPACN,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-4-5(7)6(2)3;3-2(4,5)1(6)7/h4H2,1-3H3;(H,6,7)
InChIKeyFRVVDSAGNOCEAD-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.12
Rot. Bonds1

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

N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 130237605) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID130237605
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC NameN,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-4-5(7)6(2)3;3-2(4,5)1(6)7/h4H2,1-3H3;(H,6,7)
InChIKeyFRVVDSAGNOCEAD-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (CID 130237605) is N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is CCC(=O)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is FRVVDSAGNOCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-4-5(7)6(2)3;3-2(4,5)1(6)7/h4H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130237605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).