bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate

C7H6BF3O6 — CID 163449787

IUPACbis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OB(OC(=O)CF)OC(=O)CF
InChIInChI=1S/C7H6BF3O6/c1-4(11)7(14)17-8(15-5(12)2-9)16-6(13)3-10/h1-3H2
InChIKeyBFQBGSOURXBRDA-UHFFFAOYSA-N
MW253.92 g/mol
LogP0.02
Rot. Bonds6

About bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate

bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate (PubChem CID 163449787) has the molecular formula C7H6BF3O6 and a molecular weight of 253.92 g/mol. Its IUPAC name is bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Namebis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
PubChem CID163449787
Molecular FormulaC7H6BF3O6
Molecular Weight253.92 g/mol
Exact Mass254.02
IUPAC Namebis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OB(OC(=O)CF)OC(=O)CF
InChIInChI=1S/C7H6BF3O6/c1-4(11)7(14)17-8(15-5(12)2-9)16-6(13)3-10/h1-3H2
InChIKeyBFQBGSOURXBRDA-UHFFFAOYSA-N
XLogP0.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.92
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluoroprop-2-enoyloxy)boranyl 2-fluoroprop-2-enoate;[2-methylprop-2-enoyloxy-[2-(trifluoromethyl)prop-2-enoyloxy]boranyl] 2-(trifluoromethyl)prop-2-enoate
CID 123536496
2-(fluoromethyl)prop-2-enoyl 2-(fluoromethyl)prop-2-enoate
CID 154338012
iodo 2-fluoroprop-2-enoate
CID 166890088
(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
CID 175408800
CID 175995571
CID 175995571
carbonic acid;2,3-difluoroprop-1-ene
CID 135262079
1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
CID 19741880
(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate
CID 162057349
trimethylsilyl 2-fluoroacetate
CID 123819311
3-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
trimethylsilylmethyl 2-fluoroprop-2-enoate
CID 71339155
bis(3-methylbutanoyloxy)boranyl 3-methylbutanoate
CID 87718355

Frequently Asked Questions

What is the IUPAC name of bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate?
The IUPAC name of bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate (CID 163449787) is bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate.
What is the SMILES notation for bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate?
The canonical SMILES for bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OB(OC(=O)CF)OC(=O)CF.
What is the InChIKey of bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate?
The InChIKey is BFQBGSOURXBRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3O6/c1-4(11)7(14)17-8(15-5(12)2-9)16-6(13)3-10/h1-3H2.
What are the key properties of bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate?
bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate has a molecular weight of 253.92 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 163449787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).