bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane

C28H21F16O2P — CID 10055686

IUPACbis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21F16O2P/c29-21(30)25(37,38)27(41,42)23(33,34)16-45-47(18-10-4-1-5-11-18,19-12-6-2-7-13-19,20-14-8-3-9-15-20)46-17-24(35,36)28(43,44)26(39,40)22(31)32/h1-15,21-22H,16-17H2
InChIKeyHWLUVQBYESAVMV-UHFFFAOYSA-N
MW724.42 g/mol
LogP8.72
Rot. Bonds15

About bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane

bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane (PubChem CID 10055686) has the molecular formula C28H21F16O2P and a molecular weight of 724.42 g/mol. Its IUPAC name is bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane
PubChem CID10055686
Molecular FormulaC28H21F16O2P
Molecular Weight724.42 g/mol
Exact Mass724.10
IUPAC Namebis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21F16O2P/c29-21(30)25(37,38)27(41,42)23(33,34)16-45-47(18-10-4-1-5-11-18,19-12-6-2-7-13-19,20-14-8-3-9-15-20)46-17-24(35,36)28(43,44)26(39,40)22(31)32/h1-15,21-22H,16-17H2
InChIKeyHWLUVQBYESAVMV-UHFFFAOYSA-N
XLogP8.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.42
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane 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 bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane?
The IUPAC name of bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane (CID 10055686) is bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane.
What is the SMILES notation for bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane?
The canonical SMILES for bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane is FC(F)C(F)(F)C(F)(F)C(F)(F)COP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane?
The InChIKey is HWLUVQBYESAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F16O2P/c29-21(30)25(37,38)27(41,42)23(33,34)16-45-47(18-10-4-1-5-11-18,19-12-6-2-7-13-19,20-14-8-3-9-15-20)46-17-24(35,36)28(43,44)26(39,40)22(31)32/h1-15,21-22H,16-17H2.
What are the key properties of bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane?
bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane has a molecular weight of 724.42 g/mol, XLogP of 8.72, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane is sourced from PubChem (CID 10055686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).