N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide

C11H17F6NO3 — CID 10592116

IUPACN-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C11H17F6NO3/c1-4-8(21-6-11(15,16)17)18(3)9(19)7(2)20-5-10(12,13)14/h7-8H,4-6H2,1-3H3
InChIKeySXKFZLWHIHMHLS-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide

N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (PubChem CID 10592116) has the molecular formula C11H17F6NO3 and a molecular weight of 325.25 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
PubChem CID10592116
Molecular FormulaC11H17F6NO3
Molecular Weight325.25 g/mol
Exact Mass325.11
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C11H17F6NO3/c1-4-8(21-6-11(15,16)17)18(3)9(19)7(2)20-5-10(12,13)14/h7-8H,4-6H2,1-3H3
InChIKeySXKFZLWHIHMHLS-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (CID 10592116) is N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is CCC(OCC(F)(F)F)N(C)C(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The InChIKey is SXKFZLWHIHMHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO3/c1-4-8(21-6-11(15,16)17)18(3)9(19)7(2)20-5-10(12,13)14/h7-8H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide has a molecular weight of 325.25 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxy)-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is sourced from PubChem (CID 10592116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).