3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine

C3H5F5N3OP3 — CID 150906031

IUPAC3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine
SMILESFCC(F)(On1[pH]np[nH][pH]1)C(F)(F)F
InChIInChI=1S/C3H5F5N3OP3/c4-1-2(5,3(6,7)8)12-11-14-9-13-10-15-11/h14-15H,1H2,(H,9,10)
InChIKeyBYFLOIFZMJNEAF-UHFFFAOYSA-N
MW287.01 g/mol
LogP2.60
Rot. Bonds3

About 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine

3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine (PubChem CID 150906031) has the molecular formula C3H5F5N3OP3 and a molecular weight of 287.01 g/mol. Its IUPAC name is 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine.

Molecular Properties

Compound Name3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine
PubChem CID150906031
Molecular FormulaC3H5F5N3OP3
Molecular Weight287.01 g/mol
Exact Mass286.96
IUPAC Name3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine
SMILESFCC(F)(On1[pH]np[nH][pH]1)C(F)(F)F
InChIInChI=1S/C3H5F5N3OP3/c4-1-2(5,3(6,7)8)12-11-14-9-13-10-15-11/h14-15H,1H2,(H,9,10)
InChIKeyBYFLOIFZMJNEAF-UHFFFAOYSA-N
XLogP2.60
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.01
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine?
The IUPAC name of 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine (CID 150906031) is 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine.
What is the SMILES notation for 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine?
The canonical SMILES for 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine is FCC(F)(On1[pH]np[nH][pH]1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine?
The InChIKey is BYFLOIFZMJNEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F5N3OP3/c4-1-2(5,3(6,7)8)12-11-14-9-13-10-15-11/h14-15H,1H2,(H,9,10).
What are the key properties of 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine?
3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine has a molecular weight of 287.01 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,2,3-pentafluoropropan-2-yloxy)-2,4-dihydro-1H-1,3,5,2,4,6-triazatriphosphinine is sourced from PubChem (CID 150906031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).