(2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate

C10H13F3O4 — CID 149488981

IUPAC(2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(O)(F)OC(F)(F)C1
InChIInChI=1S/C10H13F3O4/c1-6(2)7(14)16-8(3)4-9(11,12)17-10(13,15)5-8/h15H,1,4-5H2,2-3H3
InChIKeyZESORXHONSOZJO-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.88
Rot. Bonds2

About (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate

(2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate (PubChem CID 149488981) has the molecular formula C10H13F3O4 and a molecular weight of 254.20 g/mol. Its IUPAC name is (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate
PubChem CID149488981
Molecular FormulaC10H13F3O4
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name(2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(O)(F)OC(F)(F)C1
InChIInChI=1S/C10H13F3O4/c1-6(2)7(14)16-8(3)4-9(11,12)17-10(13,15)5-8/h15H,1,4-5H2,2-3H3
InChIKeyZESORXHONSOZJO-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.88
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

(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
CID 150411058
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
(3-isocyanato-2,3-dimethyloxiran-2-yl) 2-methylprop-2-enoate
CID 129226274
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189
methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate
CID 173050268
(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533336
(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
CID 22898232
[(3R,5S)-3,5-dihydroxy-1-adamantyl] 2-methylprop-2-enoate
CID 23583089
[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
cyclobutane;2-methylprop-2-eneperoxoic acid
CID 174582061
(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate
CID 153278148
(1-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343

Frequently Asked Questions

What is the IUPAC name of (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate (CID 149488981) is (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CC(O)(F)OC(F)(F)C1.
What is the InChIKey of (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate?
The InChIKey is ZESORXHONSOZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O4/c1-6(2)7(14)16-8(3)4-9(11,12)17-10(13,15)5-8/h15H,1,4-5H2,2-3H3.
What are the key properties of (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate?
(2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate has a molecular weight of 254.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6-trifluoro-6-hydroxy-4-methyloxan-4-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 149488981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).