fluoroboronic acid;tris(propane-1,3-diamine)

C9H38B4F4N6O8 — CID 173423084

IUPACfluoroboronic acid;tris(propane-1,3-diamine)
SMILESNCCCN.NCCCN.NCCCN.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/3C3H10N2.4BFH2O2/c3*4-2-1-3-5;4*2-1(3)4/h3*1-5H2;4*3-4H
InChIKeyVSEXGJNXQWKWRG-UHFFFAOYSA-N
MW477.68 g/mol
LogP-6.42
Rot. Bonds6

About fluoroboronic acid;tris(propane-1,3-diamine)

fluoroboronic acid;tris(propane-1,3-diamine) (PubChem CID 173423084) has the molecular formula C9H38B4F4N6O8 and a molecular weight of 477.68 g/mol. Its IUPAC name is fluoroboronic acid;tris(propane-1,3-diamine).

Molecular Properties

Compound Namefluoroboronic acid;tris(propane-1,3-diamine)
PubChem CID173423084
Molecular FormulaC9H38B4F4N6O8
Molecular Weight477.68 g/mol
Exact Mass478.31
IUPAC Namefluoroboronic acid;tris(propane-1,3-diamine)
SMILESNCCCN.NCCCN.NCCCN.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/3C3H10N2.4BFH2O2/c3*4-2-1-3-5;4*2-1(3)4/h3*1-5H2;4*3-4H
InChIKeyVSEXGJNXQWKWRG-UHFFFAOYSA-N
XLogP-6.42
TPSA317.96 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500477.68
LogP ≤ 5-6.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

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CID 18953212
CID 21315680
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butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
hydron;propane-1,3-diamine;iodide
CID 175361100
boric acid;tris(ethane-1,2-diamine)
CID 175320087
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
ethene;propane-1,3-diamine
CID 158358945
36-aminohexatriacontan-1-ol
CID 87686190
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
3-fluoropropan-1-amine
CID 10019
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752

Frequently Asked Questions

What is the IUPAC name of fluoroboronic acid;tris(propane-1,3-diamine)?
The IUPAC name of fluoroboronic acid;tris(propane-1,3-diamine) (CID 173423084) is fluoroboronic acid;tris(propane-1,3-diamine).
What is the SMILES notation for fluoroboronic acid;tris(propane-1,3-diamine)?
The canonical SMILES for fluoroboronic acid;tris(propane-1,3-diamine) is NCCCN.NCCCN.NCCCN.OB(O)F.OB(O)F.OB(O)F.OB(O)F.
What is the InChIKey of fluoroboronic acid;tris(propane-1,3-diamine)?
The InChIKey is VSEXGJNXQWKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H10N2.4BFH2O2/c3*4-2-1-3-5;4*2-1(3)4/h3*1-5H2;4*3-4H.
What are the key properties of fluoroboronic acid;tris(propane-1,3-diamine)?
fluoroboronic acid;tris(propane-1,3-diamine) has a molecular weight of 477.68 g/mol, XLogP of -6.42, 6 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroboronic acid;tris(propane-1,3-diamine) is sourced from PubChem (CID 173423084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).