2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate

C8H8F6O3 — CID 164845167

IUPAC2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILESC=C(C)COC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h16H,1,3H2,2H3
InChIKeyWOCZUNMXIIDBHR-UHFFFAOYSA-N
MW266.14 g/mol
LogP1.96
Rot. Bonds3

About 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate

2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (PubChem CID 164845167) has the molecular formula C8H8F6O3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
PubChem CID164845167
Molecular FormulaC8H8F6O3
Molecular Weight266.14 g/mol
Exact Mass266.04
IUPAC Name2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILESC=C(C)COC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h16H,1,3H2,2H3
InChIKeyWOCZUNMXIIDBHR-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate
CID 164845166
2-(2-oxopropoxy)ethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 174178872
2-(3-methyl-2-oxobut-3-enoxy)propyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 174178875
2-propanoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 163957916
[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 130305178
[3-(2-chloroacetyl)oxy-2,2-dimethylpropyl] 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 88566362
ethyl 4,4,4-trifluoro-3-hydroxy-2-methylidene-3-(trifluoromethyl)butanoate
CID 15040536
methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
CID 26985843
potassium 2-methylprop-2-enyl carbonate
CID 175917909
3,3,4,4,5,5,6,6,6-nonafluorohexyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 88941429
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
CID 54085907
ethyl 2-hydroxy-4-methoxy-2-(trifluoromethyl)pent-4-enoate
CID 162536869

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The IUPAC name of 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (CID 164845167) is 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The canonical SMILES for 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate is C=C(C)COC(=O)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The InChIKey is WOCZUNMXIIDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h16H,1,3H2,2H3.
What are the key properties of 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate has a molecular weight of 266.14 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 164845167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).