ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane

C7H10F6O5 — CID 175354998

IUPACethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
SMILESC=CC(=O)O.FC(F)(F)OC(F)(F)F.OCCO
InChIInChI=1S/C3H4O2.C2F6O.C2H6O2/c1-2-3(4)5;3-1(4,5)9-2(6,7)8;3-1-2-4/h2H,1H2,(H,4,5);;3-4H,1-2H2
InChIKeyZEMIGAQMZBNWJB-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.27
Rot. Bonds2

About ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane

ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane (PubChem CID 175354998) has the molecular formula C7H10F6O5 and a molecular weight of 288.14 g/mol. Its IUPAC name is ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane.

Molecular Properties

Compound Nameethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
PubChem CID175354998
Molecular FormulaC7H10F6O5
Molecular Weight288.14 g/mol
Exact Mass288.04
IUPAC Nameethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
SMILESC=CC(=O)O.FC(F)(F)OC(F)(F)F.OCCO
InChIInChI=1S/C3H4O2.C2F6O.C2H6O2/c1-2-3(4)5;3-1(4,5)9-2(6,7)8;3-1-2-4/h2H,1H2,(H,4,5);;3-4H,1-2H2
InChIKeyZEMIGAQMZBNWJB-UHFFFAOYSA-N
XLogP1.27
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
calcium;ethane-1,2-diol;hydride;prop-2-enoic acid
CID 174540831
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
2,2-bis(hydroxymethyl)propane-1,3-diol;octakis(prop-2-enoic acid)
CID 162108316
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
2-aminoethanol;prop-2-enoic acid
CID 19812730
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);undecakis(prop-2-enoic acid)
CID 173334084
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
prop-2-enoic acid;silylmethanol
CID 175499184

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane?
The IUPAC name of ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane (CID 175354998) is ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane.
What is the SMILES notation for ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane?
The canonical SMILES for ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane is C=CC(=O)O.FC(F)(F)OC(F)(F)F.OCCO.
What is the InChIKey of ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane?
The InChIKey is ZEMIGAQMZBNWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2F6O.C2H6O2/c1-2-3(4)5;3-1(4,5)9-2(6,7)8;3-1-2-4/h2H,1H2,(H,4,5);;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane?
ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane has a molecular weight of 288.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane is sourced from PubChem (CID 175354998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).