sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide

C10H20BF6NaO5 — CID 163599695

IUPACsodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide
SMILESCCOCC.O=C(OC(=O)C(F)F)C(F)F.[2H]C([2H])(O)C(F)F.[2H][B-]([2H])([2H])[2H].[Na+]
InChIInChI=1S/C4H2F4O3.C4H10O.C2H4F2O.BH4.Na/c5-1(6)3(9)11-4(10)2(7)8;1-3-5-4-2;3-2(4)1-5;;/h1-2H;3-4H2,1-2H3;2,5H,1H2;1H4;/q;;;-1;+1/i;;1D2;1D4;
InChIKeyGWOJSYDASUFYOY-BFEMCADYSA-N
MW374.09 g/mol
LogP-2.57
Rot. Bonds5

About sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide

sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide (PubChem CID 163599695) has the molecular formula C10H20BF6NaO5 and a molecular weight of 374.09 g/mol. Its IUPAC name is sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide.

Molecular Properties

Compound Namesodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide
PubChem CID163599695
Molecular FormulaC10H20BF6NaO5
Molecular Weight374.09 g/mol
Exact Mass374.16
IUPAC Namesodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide
SMILESCCOCC.O=C(OC(=O)C(F)F)C(F)F.[2H]C([2H])(O)C(F)F.[2H][B-]([2H])([2H])[2H].[Na+]
InChIInChI=1S/C4H2F4O3.C4H10O.C2H4F2O.BH4.Na/c5-1(6)3(9)11-4(10)2(7)8;1-3-5-4-2;3-2(4)1-5;;/h1-2H;3-4H2,1-2H3;2,5H,1H2;1H4;/q;;;-1;+1/i;;1D2;1D4;
InChIKeyGWOJSYDASUFYOY-BFEMCADYSA-N
XLogP-2.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.09
LogP ≤ 5-2.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate
CID 157368354
acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate
CID 138487965
3-ethoxypropyl 2,2-difluoroacetate
CID 88537747
sodium;ethoxyethane;2-hydroxyacetate
CID 87814066
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
ethoxyethane;hydroxylamine
CID 135816400
calcium;sodium;ethoxyethane;hydride
CID 173354921
disodium;ethoxyethane
CID 23107014
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
CID 174952019
diethyl 2,3-difluorobutanedioate
CID 12868425
ethoxyethane;methyl carbamate
CID 18755981

Frequently Asked Questions

What is the IUPAC name of sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide?
The IUPAC name of sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide (CID 163599695) is sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide.
What is the SMILES notation for sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide?
The canonical SMILES for sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide is CCOCC.O=C(OC(=O)C(F)F)C(F)F.[2H]C([2H])(O)C(F)F.[2H][B-]([2H])([2H])[2H].[Na+].
What is the InChIKey of sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide?
The InChIKey is GWOJSYDASUFYOY-BFEMCADYSA-N. The full InChI is InChI=1S/C4H2F4O3.C4H10O.C2H4F2O.BH4.Na/c5-1(6)3(9)11-4(10)2(7)8;1-3-5-4-2;3-2(4)1-5;;/h1-2H;3-4H2,1-2H3;2,5H,1H2;1H4;/q;;;-1;+1/i;;1D2;1D4;.
What are the key properties of sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide?
sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide has a molecular weight of 374.09 g/mol, XLogP of -2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide is sourced from PubChem (CID 163599695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).