[2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate

C18H28F2O6 — CID 134298040

IUPAC[2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate
SMILESC=C(C)C(=O)OCC(CC)(COC(=O)C(C)(C)F)COC(=O)C(C)(C)F
InChIInChI=1S/C18H28F2O6/c1-8-18(9-24-13(21)12(2)3,10-25-14(22)16(4,5)19)11-26-15(23)17(6,7)20/h2,8-11H2,1,3-7H3
InChIKeyVQFLDWDSQSMLFU-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.08
Rot. Bonds10

About [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate

[2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate (PubChem CID 134298040) has the molecular formula C18H28F2O6 and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Name[2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate
PubChem CID134298040
Molecular FormulaC18H28F2O6
Molecular Weight378.41 g/mol
Exact Mass378.19
IUPAC Name[2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate
SMILESC=C(C)C(=O)OCC(CC)(COC(=O)C(C)(C)F)COC(=O)C(C)(C)F
InChIInChI=1S/C18H28F2O6/c1-8-18(9-24-13(21)12(2)3,10-25-14(22)16(4,5)19)11-26-15(23)17(6,7)20/h2,8-11H2,1,3-7H3
InChIKeyVQFLDWDSQSMLFU-UHFFFAOYSA-N
XLogP3.08
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Trimethylolpropane Trimethacrylate
CID 18689
Pentaerythritol tetramethacrylate
CID 76740
(3-Ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 11159706
2-Propenoic acid, 2-methyl-, 2,2-bis[(2-propen-1-yloxy)methyl]butyl ester
CID 88432
2,2-Bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 88630598
(3-Ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 170853259
2-Propenoic acid, 2-methyl-, 1,1'-[2-methyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CID 90585
Methyl 2-methylprop-2-enoate;2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
CID 170851576
2,2-Bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 170853004
Tetramethylolethane tetramethacrylate
CID 20276145
2,2-Bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate
CID 15055474
2-(((2-Methyl-1-oxoallyl)oxy)methyl)-2-propyl-1,3-propanediyl bismethacrylate
CID 23338104

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate?
The IUPAC name of [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate (CID 134298040) is [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate.
What is the SMILES notation for [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate?
The canonical SMILES for [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate is C=C(C)C(=O)OCC(CC)(COC(=O)C(C)(C)F)COC(=O)C(C)(C)F.
What is the InChIKey of [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate?
The InChIKey is VQFLDWDSQSMLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O6/c1-8-18(9-24-13(21)12(2)3,10-25-14(22)16(4,5)19)11-26-15(23)17(6,7)20/h2,8-11H2,1,3-7H3.
What are the key properties of [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate?
[2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate has a molecular weight of 378.41 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluoro-2-methylpropanoyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 134298040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).