1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate

C8H7F6O3- — CID 164845166

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate
SMILESC=C(C)COC(=O)C([O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h1,3H2,2H3/q-1
InChIKeyDWXGZJIZEVNEEE-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.33
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate

1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate (PubChem CID 164845166) has the molecular formula C8H7F6O3- and a molecular weight of 265.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate
PubChem CID164845166
Molecular FormulaC8H7F6O3-
Molecular Weight265.13 g/mol
Exact Mass265.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate
SMILESC=C(C)COC(=O)C([O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h1,3H2,2H3/q-1
InChIKeyDWXGZJIZEVNEEE-UHFFFAOYSA-N
XLogP1.33
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 164845167
1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]propan-2-olate
CID 162509327
1,1,1,3,3,3-hexafluoro-2-[2-methyl-3-(2-methylprop-2-enoyloxy)propoxy]carbonylpropan-2-olate
CID 162509246
potassium 2-methylprop-2-enyl carbonate
CID 175917909
1,1,1,3,3,3-hexafluoro-2-hept-6-enoxycarbonylpropan-2-olate
CID 162509099
2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate;2-dodec-11-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate;1,1,1,3,3,3-hexafluoro-2-heptadec-16-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-hept-6-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-hexadec-15-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-hex-5-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-non-8-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-oct-7-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-pentadec-14-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-tetradec-13-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-tridec-12-enoxycarbonylpropan-2-olate;1,1,1,3,3,3-hexafluoro-2-undec-10-enoxycarbonylpropan-2-olate
CID 163788610
2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate
CID 162508098
2-dec-3-ynoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate
CID 162509447
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
CID 54085907
1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
[2,2-dimethyl-3-(2-methylprop-2-enoxy)propanoyl] 2,2-dimethyl-3-(2-methylprop-2-enoxy)propanoate
CID 88827992

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate (CID 164845166) is 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate is C=C(C)COC(=O)C([O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate?
The InChIKey is DWXGZJIZEVNEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h1,3H2,2H3/q-1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate?
1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate has a molecular weight of 265.13 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoxycarbonyl)propan-2-olate is sourced from PubChem (CID 164845166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).