19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene

C10H8Cl2F12N3O4P3 — CID 101450295

IUPAC19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene
SMILESFC1(F)COP2(=NP(Cl)(Cl)=NP3(=N2)OCC(F)(F)C(F)(F)C(F)(F)CO3)OCC(F)(F)C1(F)F
InChIInChI=1S/C10H8Cl2F12N3O4P3/c11-32(12)25-33(28-1-5(13,14)9(21,22)6(15,16)2-29-33)27-34(26-32)30-3-7(17,18)10(23,24)8(19,20)4-31-34/h1-4H2
InChIKeyGKGYLZSUSKYRJB-UHFFFAOYSA-N
MW625.99 g/mol
LogP8.22
Rot. Bonds

About 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene

19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene (PubChem CID 101450295) has the molecular formula C10H8Cl2F12N3O4P3 and a molecular weight of 625.99 g/mol. Its IUPAC name is 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene.

Molecular Properties

Compound Name19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene
PubChem CID101450295
Molecular FormulaC10H8Cl2F12N3O4P3
Molecular Weight625.99 g/mol
Exact Mass624.89
IUPAC Name19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene
SMILESFC1(F)COP2(=NP(Cl)(Cl)=NP3(=N2)OCC(F)(F)C(F)(F)C(F)(F)CO3)OCC(F)(F)C1(F)F
InChIInChI=1S/C10H8Cl2F12N3O4P3/c11-32(12)25-33(28-1-5(13,14)9(21,22)6(15,16)2-29-33)27-34(26-32)30-3-7(17,18)10(23,24)8(19,20)4-31-34/h1-4H2
InChIKeyGKGYLZSUSKYRJB-UHFFFAOYSA-N
XLogP8.22
TPSA74.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.99
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene?
The IUPAC name of 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene (CID 101450295) is 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene.
What is the SMILES notation for 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene?
The canonical SMILES for 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene is FC1(F)COP2(=NP(Cl)(Cl)=NP3(=N2)OCC(F)(F)C(F)(F)C(F)(F)CO3)OCC(F)(F)C1(F)F.
What is the InChIKey of 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene?
The InChIKey is GKGYLZSUSKYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F12N3O4P3/c11-32(12)25-33(28-1-5(13,14)9(21,22)6(15,16)2-29-33)27-34(26-32)30-3-7(17,18)10(23,24)8(19,20)4-31-34/h1-4H2.
What are the key properties of 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene?
19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene has a molecular weight of 625.99 g/mol, XLogP of 8.22, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene is sourced from PubChem (CID 101450295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).