2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate

C5H5F8O4P — CID 14027071

IUPAC2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H5F8O4P/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H2,14,15,16)
InChIKeyBDVNNZWWTACUNL-UHFFFAOYSA-N
MW312.05 g/mol
LogP2.27
Rot. Bonds6

About 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate

2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate (PubChem CID 14027071) has the molecular formula C5H5F8O4P and a molecular weight of 312.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate
PubChem CID14027071
Molecular FormulaC5H5F8O4P
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H5F8O4P/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H2,14,15,16)
InChIKeyBDVNNZWWTACUNL-UHFFFAOYSA-N
XLogP2.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate 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 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate (CID 14027071) is 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate is O=P(O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate?
The InChIKey is BDVNNZWWTACUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F8O4P/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H2,14,15,16).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate?
2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate has a molecular weight of 312.05 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate is sourced from PubChem (CID 14027071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).