phenyl 5-diethoxyphosphoryl-4-fluoropentanoate

C15H22FO5P — CID 154713609

IUPACphenyl 5-diethoxyphosphoryl-4-fluoropentanoate
SMILESCCOP(=O)(CC(F)CCC(=O)Oc1ccccc1)OCC
InChIInChI=1S/C15H22FO5P/c1-3-19-22(18,20-4-2)12-13(16)10-11-15(17)21-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeySKSXTDGTYVUFDJ-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.98
Rot. Bonds10

About phenyl 5-diethoxyphosphoryl-4-fluoropentanoate

phenyl 5-diethoxyphosphoryl-4-fluoropentanoate (PubChem CID 154713609) has the molecular formula C15H22FO5P and a molecular weight of 332.31 g/mol. Its IUPAC name is phenyl 5-diethoxyphosphoryl-4-fluoropentanoate.

Molecular Properties

Compound Namephenyl 5-diethoxyphosphoryl-4-fluoropentanoate
PubChem CID154713609
Molecular FormulaC15H22FO5P
Molecular Weight332.31 g/mol
Exact Mass332.12
IUPAC Namephenyl 5-diethoxyphosphoryl-4-fluoropentanoate
SMILESCCOP(=O)(CC(F)CCC(=O)Oc1ccccc1)OCC
InChIInChI=1S/C15H22FO5P/c1-3-19-22(18,20-4-2)12-13(16)10-11-15(17)21-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeySKSXTDGTYVUFDJ-UHFFFAOYSA-N
XLogP3.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-diethoxyphosphoryl-2-fluoroacetate
CID 10979130
phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
phenyl 4-nitrohexanoate
CID 174696245
phenyl 4-hydroxyoctanoate
CID 174869154
phenyl 4-hexyldodecanoate
CID 130176668
ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118
phenyl propanoate
CID 161258381
phenyl butanoate;phenyl propanoate
CID 139490117
carbonochloridic acid;phenyl butanoate
CID 174739979
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992

Frequently Asked Questions

What is the IUPAC name of phenyl 5-diethoxyphosphoryl-4-fluoropentanoate?
The IUPAC name of phenyl 5-diethoxyphosphoryl-4-fluoropentanoate (CID 154713609) is phenyl 5-diethoxyphosphoryl-4-fluoropentanoate.
What is the SMILES notation for phenyl 5-diethoxyphosphoryl-4-fluoropentanoate?
The canonical SMILES for phenyl 5-diethoxyphosphoryl-4-fluoropentanoate is CCOP(=O)(CC(F)CCC(=O)Oc1ccccc1)OCC.
What is the InChIKey of phenyl 5-diethoxyphosphoryl-4-fluoropentanoate?
The InChIKey is SKSXTDGTYVUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FO5P/c1-3-19-22(18,20-4-2)12-13(16)10-11-15(17)21-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of phenyl 5-diethoxyphosphoryl-4-fluoropentanoate?
phenyl 5-diethoxyphosphoryl-4-fluoropentanoate has a molecular weight of 332.31 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-diethoxyphosphoryl-4-fluoropentanoate is sourced from PubChem (CID 154713609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).