methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate

C16H19F11O4 — CID 173050268

IUPACmethane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate
SMILESC.C.C=C(C)C(=O)O.C=C(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H5F11O2.C4H6O2.2CH4/c1-3(2)4(22)23-10(21)8(17,18)6(13,14)5(11,12)7(15,16)9(10,19)20;1-3(2)4(5)6;;/h1H2,2H3;1H2,2H3,(H,5,6);2*1H4
InChIKeyQQEMZXNPVOIKPT-UHFFFAOYSA-N
MW484.30 g/mol
LogP5.88
Rot. Bonds3

About methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate

methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate (PubChem CID 173050268) has the molecular formula C16H19F11O4 and a molecular weight of 484.30 g/mol. Its IUPAC name is methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate
PubChem CID173050268
Molecular FormulaC16H19F11O4
Molecular Weight484.30 g/mol
Exact Mass484.11
IUPAC Namemethane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate
SMILESC.C.C=C(C)C(=O)O.C=C(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H5F11O2.C4H6O2.2CH4/c1-3(2)4(22)23-10(21)8(17,18)6(13,14)5(11,12)7(15,16)9(10,19)20;1-3(2)4(5)6;;/h1H2,2H3;1H2,2H3,(H,5,6);2*1H4
InChIKeyQQEMZXNPVOIKPT-UHFFFAOYSA-N
XLogP5.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.30
LogP ≤ 55.88
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

tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
acetic acid;2-methylprop-2-enoic acid
CID 21426946
CID 131883821
CID 131883821
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
bis(2-methylprop-2-enoic acid);2-methylprop-2-enoylperoxycarbonyl 2-methylprop-2-enoate
CID 87087130
(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate
CID 145067991

Frequently Asked Questions

What is the IUPAC name of methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate (CID 173050268) is methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate is C.C.C=C(C)C(=O)O.C=C(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate?
The InChIKey is QQEMZXNPVOIKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F11O2.C4H6O2.2CH4/c1-3(2)4(22)23-10(21)8(17,18)6(13,14)5(11,12)7(15,16)9(10,19)20;1-3(2)4(5)6;;/h1H2,2H3;1H2,2H3,(H,5,6);2*1H4.
What are the key properties of methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate?
methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate has a molecular weight of 484.30 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 173050268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).