trifluoro(trideuteriomethoxymethyl)boranuide

C2H5BF3O- — CID 162342217

IUPACtrifluoro(trideuteriomethoxymethyl)boranuide
SMILES[2H]C([2H])([2H])OC[B-](F)(F)F
InChIInChI=1S/C2H5BF3O/c1-7-2-3(4,5)6/h2H2,1H3/q-1/i1D3
InChIKeyNZVLBCWVAKPPPC-FIBGUPNXSA-N
MW115.89 g/mol
LogP1.02
Rot. Bonds3

About trifluoro(trideuteriomethoxymethyl)boranuide

trifluoro(trideuteriomethoxymethyl)boranuide (PubChem CID 162342217) has the molecular formula C2H5BF3O- and a molecular weight of 115.89 g/mol. Its IUPAC name is trifluoro(trideuteriomethoxymethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(trideuteriomethoxymethyl)boranuide
PubChem CID162342217
Molecular FormulaC2H5BF3O-
Molecular Weight115.89 g/mol
Exact Mass116.06
IUPAC Nametrifluoro(trideuteriomethoxymethyl)boranuide
SMILES[2H]C([2H])([2H])OC[B-](F)(F)F
InChIInChI=1S/C2H5BF3O/c1-7-2-3(4,5)6/h2H2,1H3/q-1/i1D3
InChIKeyNZVLBCWVAKPPPC-FIBGUPNXSA-N
XLogP1.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.89
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(trideuteriomethoxymethyl)boranuide?
The IUPAC name of trifluoro(trideuteriomethoxymethyl)boranuide (CID 162342217) is trifluoro(trideuteriomethoxymethyl)boranuide.
What is the SMILES notation for trifluoro(trideuteriomethoxymethyl)boranuide?
The canonical SMILES for trifluoro(trideuteriomethoxymethyl)boranuide is [2H]C([2H])([2H])OC[B-](F)(F)F.
What is the InChIKey of trifluoro(trideuteriomethoxymethyl)boranuide?
The InChIKey is NZVLBCWVAKPPPC-FIBGUPNXSA-N. The full InChI is InChI=1S/C2H5BF3O/c1-7-2-3(4,5)6/h2H2,1H3/q-1/i1D3.
What are the key properties of trifluoro(trideuteriomethoxymethyl)boranuide?
trifluoro(trideuteriomethoxymethyl)boranuide has a molecular weight of 115.89 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(trideuteriomethoxymethyl)boranuide is sourced from PubChem (CID 162342217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).