1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene

C22H24FO3P — CID 70695906

IUPAC1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H24FO3P/c1-3-25-27(24,26-4-2)22(16-17-12-14-19(23)15-13-17)21-11-7-9-18-8-5-6-10-20(18)21/h5-15,22H,3-4,16H2,1-2H3
InChIKeyZRWVOCXPUZKSCY-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.53
Rot. Bonds8

About 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene

1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 70695906) has the molecular formula C22H24FO3P and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID70695906
Molecular FormulaC22H24FO3P
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H24FO3P/c1-3-25-27(24,26-4-2)22(16-17-12-14-19(23)15-13-17)21-11-7-9-18-8-5-6-10-20(18)21/h5-15,22H,3-4,16H2,1-2H3
InChIKeyZRWVOCXPUZKSCY-UHFFFAOYSA-N
XLogP6.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene (CID 70695906) is 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene is CCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is ZRWVOCXPUZKSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FO3P/c1-3-25-27(24,26-4-2)22(16-17-12-14-19(23)15-13-17)21-11-7-9-18-8-5-6-10-20(18)21/h5-15,22H,3-4,16H2,1-2H3.
What are the key properties of 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene has a molecular weight of 386.40 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 70695906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).