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

C8H12F3NO2 — CID 115701030

IUPAC2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(2)5-14-4-3-12-7(13)8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyRKHKAIAHVNYNPI-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.26
Rot. Bonds5

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

2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 115701030) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID115701030
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(2)5-14-4-3-12-7(13)8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyRKHKAIAHVNYNPI-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(2,2,3,3,3-Pentafluoropropanamido)ethyl methacrylate
CID 91694697
N-[2-(Allyloxy)ethyl]-2,2,2-trifluoroacetamide
CID 10910465
2-[(2,2,2-Trifluoroacetyl)amino]ethyl 2-methylprop-2-enoate
CID 88915565
2-(3-Fluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 89788848
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
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113258484

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 115701030) is 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is RKHKAIAHVNYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-6(2)5-14-4-3-12-7(13)8(9,10)11/h1,3-5H2,2H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 115701030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).