N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H14F3NO3 — CID 86990221

IUPACN-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-14-4-2-3-12-7(13)5-15-6-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyJHXVVHIINCIUIS-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.72
Rot. Bonds7

About N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990221) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990221
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC NameN-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-14-4-2-3-12-7(13)5-15-6-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyJHXVVHIINCIUIS-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.72
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-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990221) is N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide is COCCCNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JHXVVHIINCIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-14-4-2-3-12-7(13)5-15-6-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 229.20 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).