2-[diethoxyphosphoryl(difluoro)methyl]naphthalene

C15H17F2O3P — CID 11001525

IUPAC2-[diethoxyphosphoryl(difluoro)methyl]naphthalene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C15H17F2O3P/c1-3-19-21(18,20-4-2)15(16,17)14-10-9-12-7-5-6-8-13(12)11-14/h5-11H,3-4H2,1-2H3
InChIKeyBDYKYHPZGVKIRF-UHFFFAOYSA-N
MW314.27 g/mol
LogP5.16
Rot. Bonds6

About 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene

2-[diethoxyphosphoryl(difluoro)methyl]naphthalene (PubChem CID 11001525) has the molecular formula C15H17F2O3P and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(difluoro)methyl]naphthalene
PubChem CID11001525
Molecular FormulaC15H17F2O3P
Molecular Weight314.27 g/mol
Exact Mass314.09
IUPAC Name2-[diethoxyphosphoryl(difluoro)methyl]naphthalene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C15H17F2O3P/c1-3-19-21(18,20-4-2)15(16,17)14-10-9-12-7-5-6-8-13(12)11-14/h5-11H,3-4H2,1-2H3
InChIKeyBDYKYHPZGVKIRF-UHFFFAOYSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.27
LogP ≤ 55.16
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-[diethoxyphosphoryl(difluoro)methyl]naphthalene?
The IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene (CID 11001525) is 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene.
What is the SMILES notation for 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene?
The canonical SMILES for 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene is CCOP(=O)(OCC)C(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene?
The InChIKey is BDYKYHPZGVKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2O3P/c1-3-19-21(18,20-4-2)15(16,17)14-10-9-12-7-5-6-8-13(12)11-14/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene?
2-[diethoxyphosphoryl(difluoro)methyl]naphthalene has a molecular weight of 314.27 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(difluoro)methyl]naphthalene is sourced from PubChem (CID 11001525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).