N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide

C10H19F3N2O2 — CID 54962335

IUPACN,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
SMILESCC(NCCCOCC(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C10H19F3N2O2/c1-8(9(16)15(2)3)14-5-4-6-17-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyJYFGYWSZAVPDCB-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.02
Rot. Bonds7

About N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide

N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide (PubChem CID 54962335) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
PubChem CID54962335
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
SMILESCC(NCCCOCC(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C10H19F3N2O2/c1-8(9(16)15(2)3)14-5-4-6-17-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyJYFGYWSZAVPDCB-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide (CID 54962335) is N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide is CC(NCCCOCC(F)(F)F)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
The InChIKey is JYFGYWSZAVPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8(9(16)15(2)3)14-5-4-6-17-7-10(11,12)13/h8,14H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide is sourced from PubChem (CID 54962335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).