2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C3H5F5N3P3 — CID 100994539

IUPAC2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESC=C(C)P1(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C3H5F5N3P3/c1-3(2)12(4)9-13(5,6)11-14(7,8)10-12/h1H2,2H3
InChIKeyMPEQQOSDEVCWPC-UHFFFAOYSA-N
MW271.01 g/mol
LogP6.30
Rot. Bonds1

About 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 100994539) has the molecular formula C3H5F5N3P3 and a molecular weight of 271.01 g/mol. Its IUPAC name is 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID100994539
Molecular FormulaC3H5F5N3P3
Molecular Weight271.01 g/mol
Exact Mass270.96
IUPAC Name2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESC=C(C)P1(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C3H5F5N3P3/c1-3(2)12(4)9-13(5,6)11-14(7,8)10-12/h1H2,2H3
InChIKeyMPEQQOSDEVCWPC-UHFFFAOYSA-N
XLogP6.30
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.01
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 100994539) is 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is C=C(C)P1(F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is MPEQQOSDEVCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F5N3P3/c1-3(2)12(4)9-13(5,6)11-14(7,8)10-12/h1H2,2H3.
What are the key properties of 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 271.01 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 100994539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).