CID 172779441

H3BF9N3O3 — CID 172779441

IUPAC—
SMILESFN(F)F.FN(F)F.FN(F)F.OB(O)O
InChIInChI=1S/BH3O3.3F3N/c2-1(3)4;3*1-4(2)3/h2-4H;;;
InChIKeyOBCKQUPPBWWJPV-UHFFFAOYSA-N
MW274.84 g/mol
LogP0.77
Rot. Bonds

About CID 172779441

CID 172779441 (PubChem CID 172779441) has the molecular formula H3BF9N3O3 and a molecular weight of 274.84 g/mol.

Molecular Properties

Compound NameCID 172779441
PubChem CID172779441
Molecular FormulaH3BF9N3O3
Molecular Weight274.84 g/mol
Exact Mass275.01
IUPAC Name—
SMILESFN(F)F.FN(F)F.FN(F)F.OB(O)O
InChIInChI=1S/BH3O3.3F3N/c2-1(3)4;3*1-4(2)3/h2-4H;;;
InChIKeyOBCKQUPPBWWJPV-UHFFFAOYSA-N
XLogP0.77
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172779441?
The IUPAC name of CID 172779441 (CID 172779441) is not available.
What is the SMILES notation for CID 172779441?
The canonical SMILES for CID 172779441 is FN(F)F.FN(F)F.FN(F)F.OB(O)O.
What is the InChIKey of CID 172779441?
The InChIKey is OBCKQUPPBWWJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.3F3N/c2-1(3)4;3*1-4(2)3/h2-4H;;;.
What are the key properties of CID 172779441?
CID 172779441 has a molecular weight of 274.84 g/mol, XLogP of 0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172779441 is sourced from PubChem (CID 172779441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).