bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol

C12H18F4O6 — CID 53446164

IUPACbis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC(F)(F)C(F)(F)CO
InChIInChI=1S/C4H6F4O2.2C4H6O2/c5-3(6,1-9)4(7,8)2-10;2*1-3(2)4(5)6/h9-10H,1-2H2;2*1H2,2H3,(H,5,6)
InChIKeyRLIHUQQYKLMBNV-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.54
Rot. Bonds5

About bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol

bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol (PubChem CID 53446164) has the molecular formula C12H18F4O6 and a molecular weight of 334.26 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
PubChem CID53446164
Molecular FormulaC12H18F4O6
Molecular Weight334.26 g/mol
Exact Mass334.10
IUPAC Namebis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC(F)(F)C(F)(F)CO
InChIInChI=1S/C4H6F4O2.2C4H6O2/c5-3(6,1-9)4(7,8)2-10;2*1-3(2)4(5)6/h9-10H,1-2H2;2*1H2,2H3,(H,5,6)
InChIKeyRLIHUQQYKLMBNV-UHFFFAOYSA-N
XLogP1.54
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol?
The IUPAC name of bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol (CID 53446164) is bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol?
The canonical SMILES for bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol is C=C(C)C(=O)O.C=C(C)C(=O)O.OCC(F)(F)C(F)(F)CO.
What is the InChIKey of bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol?
The InChIKey is RLIHUQQYKLMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O2.2C4H6O2/c5-3(6,1-9)4(7,8)2-10;2*1-3(2)4(5)6/h9-10H,1-2H2;2*1H2,2H3,(H,5,6).
What are the key properties of bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol?
bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol has a molecular weight of 334.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol is sourced from PubChem (CID 53446164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).