N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H16F3NO3 — CID 113258484

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC=C(C)COCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-8(2)5-16-4-3-14-9(15)6-17-7-10(11,12)13/h1,3-7H2,2H3,(H,14,15)
InChIKeyVSVXEKDYUISFCB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.27
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113258484) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113258484
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC=C(C)COCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-8(2)5-16-4-3-14-9(15)6-17-7-10(11,12)13/h1,3-7H2,2H3,(H,14,15)
InChIKeyVSVXEKDYUISFCB-UHFFFAOYSA-N
XLogP1.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103208993
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide
CID 103310130
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
2,2,3,3-tetrafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103769575
N-(2-methylprop-2-enyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104955616
2,2,3,3,3-pentafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 108095580
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113258482
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114467416
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 115699608
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700293
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115701030
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 115701031

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 113258484) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is C=C(C)COCCNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VSVXEKDYUISFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-8(2)5-16-4-3-14-9(15)6-17-7-10(11,12)13/h1,3-7H2,2H3,(H,14,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 255.24 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 113258484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).