[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate

C14H12F4O4 — CID 163645138

IUPAC[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OCc1c(C)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H12F4O4/c1-6(2)14(20)22-5-9(19)21-4-8-7(3)10(15)12(17)13(18)11(8)16/h1,4-5H2,2-3H3
InChIKeyIHPLLLYIRUHXAI-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.71
Rot. Bonds5

About [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate

[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate (PubChem CID 163645138) has the molecular formula C14H12F4O4 and a molecular weight of 320.24 g/mol. Its IUPAC name is [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate
PubChem CID163645138
Molecular FormulaC14H12F4O4
Molecular Weight320.24 g/mol
Exact Mass320.07
IUPAC Name[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OCc1c(C)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H12F4O4/c1-6(2)14(20)22-5-9(19)21-4-8-7(3)10(15)12(17)13(18)11(8)16/h1,4-5H2,2-3H3
InChIKeyIHPLLLYIRUHXAI-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
bis[(2,3,4,5,6-pentafluorophenyl)methyl] butanedioate
CID 13186666
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
9-(4-azido-2,3,5,6-tetrafluorophenyl)nonyl 2-methylprop-2-enoate
CID 176671586
2-(2,3,4,5,6-pentafluorophenyl)propyl 2-methylprop-2-enoate
CID 88744529
ethyl 2-methylprop-2-enoate
CID 130475774
[4-(acetyloxymethyl)-2,3,5,6-tetrafluorophenyl]methyl acetate;[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methyl acetate
CID 162135595
2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate
CID 58165702
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
CID 59524626

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate (CID 163645138) is [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OCc1c(C)c(F)c(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate?
The InChIKey is IHPLLLYIRUHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4O4/c1-6(2)14(20)22-5-9(19)21-4-8-7(3)10(15)12(17)13(18)11(8)16/h1,4-5H2,2-3H3.
What are the key properties of [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate?
[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate has a molecular weight of 320.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 163645138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).