2,2,2-trifluoroethyl 2-methylprop-2-enoate

C6H7F3O2 — CID 9608

IUPAC2,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
InChIKeyQTKPMCIBUROOGY-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.67
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-methylprop-2-enoate

2,2,2-trifluoroethyl 2-methylprop-2-enoate (PubChem CID 9608) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-methylprop-2-enoate
PubChem CID9608
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name2,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
InChIKeyQTKPMCIBUROOGY-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
CID 67852922
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
2,2,2-trifluoroethyl 2-methylprop-2-eneperoxoate
CID 155125944
3-(2,2,2-trifluoroethoxy)but-3-en-2-one
CID 71773825
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283
2,2,2-trifluoroethyl 4-methoxy-2-methylidenebutanoate
CID 87174824
2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
CID 87414433
[3,3,4,4,5,6,6,6-octafluoro-2-hydroxy-2-methyl-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
CID 87146200
bis(2,2,2-trifluoroethyl) 2-methylidenebutanedioate;(2,3,4,5,6-pentafluorophenyl) 2-methylprop-2-enoate
CID 135222150
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-methylprop-2-enoate (CID 9608) is 2,2,2-trifluoroethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The InChIKey is QTKPMCIBUROOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3.
What are the key properties of 2,2,2-trifluoroethyl 2-methylprop-2-enoate?
2,2,2-trifluoroethyl 2-methylprop-2-enoate has a molecular weight of 168.11 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-methylprop-2-enoate is sourced from PubChem (CID 9608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).