N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide

C7H13F3N2O — CID 43089178

IUPACN,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(NCC(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C7H13F3N2O/c1-5(6(13)12(2)3)11-4-7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyUHXSTCWCRGPSSW-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.62
Rot. Bonds3

About N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide

N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43089178) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43089178
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(NCC(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C7H13F3N2O/c1-5(6(13)12(2)3)11-4-7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyUHXSTCWCRGPSSW-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide (CID 43089178) is N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide is CC(NCC(F)(F)F)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is UHXSTCWCRGPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-5(6(13)12(2)3)11-4-7(8,9)10/h5,11H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide?
N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 198.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43089178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).