1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene

C3H9F3N3O3P3 — CID 70143445

IUPAC1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
SMILESCOP1N=P(OC)(OC)N(F)P(F)N1F
InChIInChI=1S/C3H9F3N3O3P3/c1-10-14-7-15(11-2,12-3)9(5)13(6)8(14)4/h1-3H3
InChIKeyYATMQHDJKBUEES-UHFFFAOYSA-N
MW285.04 g/mol
LogP3.68
Rot. Bonds3

About 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene

1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene (PubChem CID 70143445) has the molecular formula C3H9F3N3O3P3 and a molecular weight of 285.04 g/mol. Its IUPAC name is 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene.

Molecular Properties

Compound Name1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
PubChem CID70143445
Molecular FormulaC3H9F3N3O3P3
Molecular Weight285.04 g/mol
Exact Mass284.98
IUPAC Name1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
SMILESCOP1N=P(OC)(OC)N(F)P(F)N1F
InChIInChI=1S/C3H9F3N3O3P3/c1-10-14-7-15(11-2,12-3)9(5)13(6)8(14)4/h1-3H3
InChIKeyYATMQHDJKBUEES-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.04
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
The IUPAC name of 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene (CID 70143445) is 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene.
What is the SMILES notation for 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
The canonical SMILES for 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene is COP1N=P(OC)(OC)N(F)P(F)N1F.
What is the InChIKey of 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
The InChIKey is YATMQHDJKBUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9F3N3O3P3/c1-10-14-7-15(11-2,12-3)9(5)13(6)8(14)4/h1-3H3.
What are the key properties of 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene has a molecular weight of 285.04 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene is sourced from PubChem (CID 70143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).