N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

C11H18F3NO3 — CID 113258482

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESC=C(C)COCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-9(2)7-17-6-4-15-10(16)3-5-18-8-11(12,13)14/h1,3-8H2,2H3,(H,15,16)
InChIKeyPUJPJXCIWJRYEM-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.66
Rot. Bonds9

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 113258482) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID113258482
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESC=C(C)COCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-9(2)7-17-6-4-15-10(16)3-5-18-8-11(12,13)14/h1,3-8H2,2H3,(H,15,16)
InChIKeyPUJPJXCIWJRYEM-UHFFFAOYSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.66
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-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78873719
3-(2,2-difluoroethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103208993
3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide
CID 103208995
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
2,2,3,3,3-pentafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 108095580
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113258484
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467943
N-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114618868
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 113258482) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is C=C(C)COCCNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PUJPJXCIWJRYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-9(2)7-17-6-4-15-10(16)3-5-18-8-11(12,13)14/h1,3-8H2,2H3,(H,15,16).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 269.26 g/mol, XLogP of 1.66, 9 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]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 113258482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).