fluoroboronic acid;methyl ethanimidate

C3H15B4F4NO9 — CID 22436445

IUPACfluoroboronic acid;methyl ethanimidate
SMILESOB(O)F.OB(O)F.OB(O)F.OB(O)F.[H]/N=C(\C)OC
InChIInChI=1S/C3H7NO.4BFH2O2/c1-3(4)5-2;4*2-1(3)4/h4H,1-2H3;4*3-4H/b4-3+;;;;
InChIKeyIZNYASRDNYPIPZ-PLJHVDPMSA-N
MW328.39 g/mol
LogP-3.67
Rot. Bonds

About fluoroboronic acid;methyl ethanimidate

fluoroboronic acid;methyl ethanimidate (PubChem CID 22436445) has the molecular formula C3H15B4F4NO9 and a molecular weight of 328.39 g/mol. Its IUPAC name is fluoroboronic acid;methyl ethanimidate.

Molecular Properties

Compound Namefluoroboronic acid;methyl ethanimidate
PubChem CID22436445
Molecular FormulaC3H15B4F4NO9
Molecular Weight328.39 g/mol
Exact Mass329.11
IUPAC Namefluoroboronic acid;methyl ethanimidate
SMILESOB(O)F.OB(O)F.OB(O)F.OB(O)F.[H]/N=C(\C)OC
InChIInChI=1S/C3H7NO.4BFH2O2/c1-3(4)5-2;4*2-1(3)4/h4H,1-2H3;4*3-4H/b4-3+;;;;
InChIKeyIZNYASRDNYPIPZ-PLJHVDPMSA-N
XLogP-3.67
TPSA194.92 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 5-3.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoroboronic acid;methyl ethanimidate?
The IUPAC name of fluoroboronic acid;methyl ethanimidate (CID 22436445) is fluoroboronic acid;methyl ethanimidate.
What is the SMILES notation for fluoroboronic acid;methyl ethanimidate?
The canonical SMILES for fluoroboronic acid;methyl ethanimidate is OB(O)F.OB(O)F.OB(O)F.OB(O)F.[H]/N=C(\C)OC.
What is the InChIKey of fluoroboronic acid;methyl ethanimidate?
The InChIKey is IZNYASRDNYPIPZ-PLJHVDPMSA-N. The full InChI is InChI=1S/C3H7NO.4BFH2O2/c1-3(4)5-2;4*2-1(3)4/h4H,1-2H3;4*3-4H/b4-3+;;;;.
What are the key properties of fluoroboronic acid;methyl ethanimidate?
fluoroboronic acid;methyl ethanimidate has a molecular weight of 328.39 g/mol, XLogP of -3.67, 0 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroboronic acid;methyl ethanimidate is sourced from PubChem (CID 22436445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).