disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide

C12H22F6Na2O9 — CID 160631188

IUPACdisodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide
SMILESCCO.CCO.CCOC(=O)COC(F)(F)F.O=C([O-])COC(F)(F)F.[Na+].[Na+].[OH-]
InChIInChI=1S/C5H7F3O3.C3H3F3O3.2C2H6O.2Na.H2O/c1-2-10-4(9)3-11-5(6,7)8;4-3(5,6)9-1-2(7)8;2*1-2-3;;;/h2-3H2,1H3;1H2,(H,7,8);2*3H,2H2,1H3;;;1H2/q;;;;2*+1;/p-2
InChIKeyRHYFNIIHUWNWJB-UHFFFAOYSA-L
MW470.27 g/mol
LogP-5.81
Rot. Bonds5

About disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide

disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide (PubChem CID 160631188) has the molecular formula C12H22F6Na2O9 and a molecular weight of 470.27 g/mol. Its IUPAC name is disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide.

Molecular Properties

Compound Namedisodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide
PubChem CID160631188
Molecular FormulaC12H22F6Na2O9
Molecular Weight470.27 g/mol
Exact Mass470.10
IUPAC Namedisodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide
SMILESCCO.CCO.CCOC(=O)COC(F)(F)F.O=C([O-])COC(F)(F)F.[Na+].[Na+].[OH-]
InChIInChI=1S/C5H7F3O3.C3H3F3O3.2C2H6O.2Na.H2O/c1-2-10-4(9)3-11-5(6,7)8;4-3(5,6)9-1-2(7)8;2*1-2-3;;;/h2-3H2,1H3;1H2,(H,7,8);2*3H,2H2,1H3;;;1H2/q;;;;2*+1;/p-2
InChIKeyRHYFNIIHUWNWJB-UHFFFAOYSA-L
XLogP-5.81
TPSA155.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.27
LogP ≤ 5-5.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethanol;ethyl 2-aminoacetate
CID 174720999
sodium 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)acetate
CID 23707431
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate
CID 154286431
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110
ethyl 2-aminoacetate
CID 45039361
CID 172843337
CID 172843337
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
3-ethoxy-2,2-difluoro-3-oxopropanoate
CID 154057917

Frequently Asked Questions

What is the IUPAC name of disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide?
The IUPAC name of disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide (CID 160631188) is disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide.
What is the SMILES notation for disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide?
The canonical SMILES for disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide is CCO.CCO.CCOC(=O)COC(F)(F)F.O=C([O-])COC(F)(F)F.[Na+].[Na+].[OH-].
What is the InChIKey of disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide?
The InChIKey is RHYFNIIHUWNWJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H7F3O3.C3H3F3O3.2C2H6O.2Na.H2O/c1-2-10-4(9)3-11-5(6,7)8;4-3(5,6)9-1-2(7)8;2*1-2-3;;;/h2-3H2,1H3;1H2,(H,7,8);2*3H,2H2,1H3;;;1H2/q;;;;2*+1;/p-2.
What are the key properties of disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide?
disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide has a molecular weight of 470.27 g/mol, XLogP of -5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide is sourced from PubChem (CID 160631188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).