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

C10H18F3NO3 — CID 10801125

IUPAC2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC
InChIInChI=1S/C10H18F3NO3/c1-5-8(17-6-10(11,12)13)14(3)9(15)7(2)16-4/h7-8H,5-6H2,1-4H3
InChIKeyQWNUDBUBZVDALC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.79
Rot. Bonds6

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

2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (PubChem CID 10801125) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
PubChem CID10801125
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC
InChIInChI=1S/C10H18F3NO3/c1-5-8(17-6-10(11,12)13)14(3)9(15)7(2)16-4/h7-8H,5-6H2,1-4H3
InChIKeyQWNUDBUBZVDALC-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.79
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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Related Compounds

CID 71672900
CID 71672900
CID 2828738
CID 2828738
CID 45887316
CID 45887316
CID 45887329
CID 45887329
CID 45887346
CID 45887346
CID 45887347
CID 45887347
CID 126771662
CID 126771662
CID 10586295
CID 10586295
CID 100977959
CID 100977959
CID 103028896
CID 103028896
CID 103028897
CID 103028897
CID 103028906
CID 103028906

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The IUPAC name of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (CID 10801125) is 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is CCC(OCC(F)(F)F)N(C)C(=O)C(C)OC.
What is the InChIKey of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The InChIKey is QWNUDBUBZVDALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-5-8(17-6-10(11,12)13)14(3)9(15)7(2)16-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is sourced from PubChem (CID 10801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).