1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene

C13H19F2O3P — CID 15278374

IUPAC1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene
SMILESCCOP(=O)(OCC)C(F)(F)Cc1ccc(C)cc1
InChIInChI=1S/C13H19F2O3P/c1-4-17-19(16,18-5-2)13(14,15)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyVQXDQOMUMLKMJO-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.40
Rot. Bonds7

About 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene

1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene (PubChem CID 15278374) has the molecular formula C13H19F2O3P and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene
PubChem CID15278374
Molecular FormulaC13H19F2O3P
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene
SMILESCCOP(=O)(OCC)C(F)(F)Cc1ccc(C)cc1
InChIInChI=1S/C13H19F2O3P/c1-4-17-19(16,18-5-2)13(14,15)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyVQXDQOMUMLKMJO-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.40
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-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene?
The IUPAC name of 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene (CID 15278374) is 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene?
The canonical SMILES for 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene is CCOP(=O)(OCC)C(F)(F)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene?
The InChIKey is VQXDQOMUMLKMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2O3P/c1-4-17-19(16,18-5-2)13(14,15)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene?
1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene has a molecular weight of 292.26 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4-methylbenzene is sourced from PubChem (CID 15278374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).