[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate

C8H11F3O4 — CID 143704961

IUPAC[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CO)COCC(F)(F)F
InChIInChI=1S/C8H11F3O4/c1-2-7(13)15-6(3-12)4-14-5-8(9,10)11/h2,6,12H,1,3-5H2
InChIKeyCJXGZKRYYHJRAA-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.66
Rot. Bonds6

About [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate

[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate (PubChem CID 143704961) has the molecular formula C8H11F3O4 and a molecular weight of 228.17 g/mol. Its IUPAC name is [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate
PubChem CID143704961
Molecular FormulaC8H11F3O4
Molecular Weight228.17 g/mol
Exact Mass228.06
IUPAC Name[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CO)COCC(F)(F)F
InChIInChI=1S/C8H11F3O4/c1-2-7(13)15-6(3-12)4-14-5-8(9,10)11/h2,6,12H,1,3-5H2
InChIKeyCJXGZKRYYHJRAA-UHFFFAOYSA-N
XLogP0.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-3-nitrosopropan-2-yl) prop-2-enoate
CID 147089407
[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
(4,4,5,5-tetrafluoro-2,8-dihydroxy-7-prop-2-enoyloxyoctyl) prop-2-enoate
CID 20668065
3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid
CID 176832226
(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-2,12-dihydroxy-11-prop-2-enoyloxydodecyl) prop-2-enoate
CID 20668058
[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
CID 59648758
[2-prop-2-enoyloxy-4-(2,2,2-trifluoroethylamino)butyl] prop-2-enoate
CID 146374385
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid
CID 87074642
(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate
CID 89335761
1-prop-2-enoxypentan-2-yl prop-2-enoate
CID 171774459
1,3-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propan-2-yl prop-2-enoate
CID 162752844

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate?
The IUPAC name of [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate (CID 143704961) is [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate?
The canonical SMILES for [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate is C=CC(=O)OC(CO)COCC(F)(F)F.
What is the InChIKey of [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate?
The InChIKey is CJXGZKRYYHJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O4/c1-2-7(13)15-6(3-12)4-14-5-8(9,10)11/h2,6,12H,1,3-5H2.
What are the key properties of [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate?
[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate has a molecular weight of 228.17 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate is sourced from PubChem (CID 143704961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).