[difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium

C17H27F2O5P2+ — CID 88633929

IUPAC[difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C(\O)[P+](=O)C(F)(F)P(=O)(O)O
InChIInChI=1S/C17H26F2O5P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(20)25(21)17(18,19)26(22,23)24/h7,9,11-12H,5-6,8,10H2,1-4H3,(H2-,20,22,23,24)/p+1/b14-9+,15-11+,16-12+
InChIKeyFKAJIYJOGBWNMH-GDXIMDLHSA-O
MW411.34 g/mol
LogP6.36
Rot. Bonds10

About [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium

[difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium (PubChem CID 88633929) has the molecular formula C17H27F2O5P2+ and a molecular weight of 411.34 g/mol. Its IUPAC name is [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium.

Molecular Properties

Compound Name[difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium
PubChem CID88633929
Molecular FormulaC17H27F2O5P2+
Molecular Weight411.34 g/mol
Exact Mass411.13
IUPAC Name[difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C(\O)[P+](=O)C(F)(F)P(=O)(O)O
InChIInChI=1S/C17H26F2O5P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(20)25(21)17(18,19)26(22,23)24/h7,9,11-12H,5-6,8,10H2,1-4H3,(H2-,20,22,23,24)/p+1/b14-9+,15-11+,16-12+
InChIKeyFKAJIYJOGBWNMH-GDXIMDLHSA-O
XLogP6.36
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium 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 [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium?
The IUPAC name of [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium (CID 88633929) is [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium.
What is the SMILES notation for [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium?
The canonical SMILES for [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium is CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C(\O)[P+](=O)C(F)(F)P(=O)(O)O.
What is the InChIKey of [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium?
The InChIKey is FKAJIYJOGBWNMH-GDXIMDLHSA-O. The full InChI is InChI=1S/C17H26F2O5P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(20)25(21)17(18,19)26(22,23)24/h7,9,11-12H,5-6,8,10H2,1-4H3,(H2-,20,22,23,24)/p+1/b14-9+,15-11+,16-12+.
What are the key properties of [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium?
[difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium has a molecular weight of 411.34 g/mol, XLogP of 6.36, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(phosphono)methyl]-[(1E,3E,7E)-1-hydroxy-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]-oxophosphanium is sourced from PubChem (CID 88633929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).