(1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate

C7H8F4O3 — CID 173263422

IUPAC(1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC(F)(F)C(O)(F)F
InChIInChI=1S/C7H8F4O3/c1-3-4(2)5(12)14-7(10,11)6(8,9)13/h3,13H,1-2H3
InChIKeyAUKZYGOQWWSLCV-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.67
Rot. Bonds3

About (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate

(1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate (PubChem CID 173263422) has the molecular formula C7H8F4O3 and a molecular weight of 216.13 g/mol. Its IUPAC name is (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate
PubChem CID173263422
Molecular FormulaC7H8F4O3
Molecular Weight216.13 g/mol
Exact Mass216.04
IUPAC Name(1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC(F)(F)C(O)(F)F
InChIInChI=1S/C7H8F4O3/c1-3-4(2)5(12)14-7(10,11)6(8,9)13/h3,13H,1-2H3
InChIKeyAUKZYGOQWWSLCV-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trifluoroethyl (E)-2-methylbut-2-enoate
CID 169449580
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-methyltridec-2-enoate
CID 175381852
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl 2-methylpent-2-enoate
CID 173370334
2,2-dimethylpropane;methane;methanetetrol;(E)-2-methylbut-2-enoic acid;(E)-3-methylpent-3-en-2-one;tris[[(E)-2-methylbut-2-enoyl]oxy]methyl (E)-2-methylbut-2-enoate
CID 161452729
(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate
CID 175490230
2-(1,1,2,2,2-pentafluoroethoxycarbonyl)but-2-enoic acid
CID 151447606
chloromethane;dimethylamino (E)-2-methylbut-2-enoate
CID 88606182
1,1-bis(4-hydroxyphenyl)ethyl 2-methylbut-2-enoate
CID 66735022
dimethylsilyl 2-methylbut-2-enoate
CID 123251992
1,1,2,2,2-pentafluoroethyl 2-methylnon-2-enoate
CID 174821254
[(E)-2-methylbut-2-enoyl]peroxycarbonyl (E)-2-methylbut-2-eneperoxoate
CID 140987479
4-hydroxypentan-2-yl 2-methylbut-2-enoate
CID 91259423

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate?
The IUPAC name of (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate (CID 173263422) is (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate.
What is the SMILES notation for (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate?
The canonical SMILES for (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate is CC=C(C)C(=O)OC(F)(F)C(O)(F)F.
What is the InChIKey of (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate?
The InChIKey is AUKZYGOQWWSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O3/c1-3-4(2)5(12)14-7(10,11)6(8,9)13/h3,13H,1-2H3.
What are the key properties of (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate?
(1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate has a molecular weight of 216.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2-tetrafluoro-2-hydroxyethyl) 2-methylbut-2-enoate is sourced from PubChem (CID 173263422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).