2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine

C5H7F10N4OP3 — CID 138534990

IUPAC2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
SMILESCN(C)P1(F)=NP(F)(OC(C(F)(F)F)C(F)(F)F)=NP(F)(F)=N1
InChIInChI=1S/C5H7F10N4OP3/c1-19(2)22(14)16-21(12,13)17-23(15,18-22)20-3(4(6,7)8)5(9,10)11/h3H,1-2H3
InChIKeyYKTVHLMRCGYFRW-UHFFFAOYSA-N
MW422.04 g/mol
LogP6.79
Rot. Bonds3

About 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine

2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine (PubChem CID 138534990) has the molecular formula C5H7F10N4OP3 and a molecular weight of 422.04 g/mol. Its IUPAC name is 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
PubChem CID138534990
Molecular FormulaC5H7F10N4OP3
Molecular Weight422.04 g/mol
Exact Mass421.97
IUPAC Name2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
SMILESCN(C)P1(F)=NP(F)(OC(C(F)(F)F)C(F)(F)F)=NP(F)(F)=N1
InChIInChI=1S/C5H7F10N4OP3/c1-19(2)22(14)16-21(12,13)17-23(15,18-22)20-3(4(6,7)8)5(9,10)11/h3H,1-2H3
InChIKeyYKTVHLMRCGYFRW-UHFFFAOYSA-N
XLogP6.79
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.04
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?
The IUPAC name of 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine (CID 138534990) is 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine.
What is the SMILES notation for 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?
The canonical SMILES for 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine is CN(C)P1(F)=NP(F)(OC(C(F)(F)F)C(F)(F)F)=NP(F)(F)=N1.
What is the InChIKey of 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?
The InChIKey is YKTVHLMRCGYFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F10N4OP3/c1-19(2)22(14)16-21(12,13)17-23(15,18-22)20-3(4(6,7)8)5(9,10)11/h3H,1-2H3.
What are the key properties of 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?
2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine has a molecular weight of 422.04 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine is sourced from PubChem (CID 138534990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).