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

C22H24FO3P — CID 70695905

IUPAC2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24FO3P/c1-3-25-27(24,26-4-2)22(15-17-9-13-21(23)14-10-17)20-12-11-18-7-5-6-8-19(18)16-20/h5-14,16,22H,3-4,15H2,1-2H3
InChIKeyXNTDMTXDGKDOBG-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.53
Rot. Bonds8

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

2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 70695905) has the molecular formula C22H24FO3P and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID70695905
Molecular FormulaC22H24FO3P
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24FO3P/c1-3-25-27(24,26-4-2)22(15-17-9-13-21(23)14-10-17)20-12-11-18-7-5-6-8-19(18)16-20/h5-14,16,22H,3-4,15H2,1-2H3
InChIKeyXNTDMTXDGKDOBG-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 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene (CID 70695905) is 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene is CCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is XNTDMTXDGKDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FO3P/c1-3-25-27(24,26-4-2)22(15-17-9-13-21(23)14-10-17)20-12-11-18-7-5-6-8-19(18)16-20/h5-14,16,22H,3-4,15H2,1-2H3.
What are the key properties of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene?
2-[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 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 70695905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).