[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate

C9H12F4O4 — CID 91567878

IUPAC[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(O)OC(F)C(F)(F)F
InChIInChI=1S/C9H12F4O4/c1-5(2)6(14)16-4-8(3,15)17-7(10)9(11,12)13/h7,15H,1,4H2,2-3H3
InChIKeyFMNOHPSQXDRPQK-UHFFFAOYSA-N
MW260.18 g/mol
LogP1.69
Rot. Bonds5

About [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate

[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate (PubChem CID 91567878) has the molecular formula C9H12F4O4 and a molecular weight of 260.18 g/mol. Its IUPAC name is [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate
PubChem CID91567878
Molecular FormulaC9H12F4O4
Molecular Weight260.18 g/mol
Exact Mass260.07
IUPAC Name[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(O)OC(F)C(F)(F)F
InChIInChI=1S/C9H12F4O4/c1-5(2)6(14)16-4-8(3,15)17-7(10)9(11,12)13/h7,15H,1,4H2,2-3H3
InChIKeyFMNOHPSQXDRPQK-UHFFFAOYSA-N
XLogP1.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
(6,6,6-trifluoro-2-hydroxy-2,5-dimethylhexyl) 2-methylprop-2-enoate
CID 175062743
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
[3,3,4,4,5,6,6,6-octafluoro-2-hydroxy-2-methyl-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
CID 87146200
[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283
[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate
CID 18625086
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
2-(1,1,1-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl)oxyethyl 2-methylprop-2-enoate
CID 58276095
(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
[3-bromo-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 154123375

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate (CID 91567878) is [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(O)OC(F)C(F)(F)F.
What is the InChIKey of [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate?
The InChIKey is FMNOHPSQXDRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O4/c1-5(2)6(14)16-4-8(3,15)17-7(10)9(11,12)13/h7,15H,1,4H2,2-3H3.
What are the key properties of [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate?
[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate has a molecular weight of 260.18 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 91567878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).