1-diethoxyphosphoryl-3-(difluoromethyl)benzene

C11H15F2O3P — CID 166609915

IUPAC1-diethoxyphosphoryl-3-(difluoromethyl)benzene
SMILESCCOP(=O)(OCC)c1cccc(C(F)F)c1
InChIInChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)10-7-5-6-9(8-10)11(12)13/h5-8,11H,3-4H2,1-2H3
InChIKeyNLTKJXFDGGLACY-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.52
Rot. Bonds6

About 1-diethoxyphosphoryl-3-(difluoromethyl)benzene

1-diethoxyphosphoryl-3-(difluoromethyl)benzene (PubChem CID 166609915) has the molecular formula C11H15F2O3P and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-3-(difluoromethyl)benzene
PubChem CID166609915
Molecular FormulaC11H15F2O3P
Molecular Weight264.21 g/mol
Exact Mass264.07
IUPAC Name1-diethoxyphosphoryl-3-(difluoromethyl)benzene
SMILESCCOP(=O)(OCC)c1cccc(C(F)F)c1
InChIInChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)10-7-5-6-9(8-10)11(12)13/h5-8,11H,3-4H2,1-2H3
InChIKeyNLTKJXFDGGLACY-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphorylbenzaldehyde
CID 10800178
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
1-diethoxyphosphoryl-3-nitrobenzene
CID 11737034
2-(3-diethoxyphosphorylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 87472149
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
6-diethoxyphosphorylnaphthalen-2-ol
CID 10492986
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
1-bromo-2-chloro-4-diethoxyphosphorylbenzene
CID 166609988
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-3-(difluoromethyl)benzene?
The IUPAC name of 1-diethoxyphosphoryl-3-(difluoromethyl)benzene (CID 166609915) is 1-diethoxyphosphoryl-3-(difluoromethyl)benzene.
What is the SMILES notation for 1-diethoxyphosphoryl-3-(difluoromethyl)benzene?
The canonical SMILES for 1-diethoxyphosphoryl-3-(difluoromethyl)benzene is CCOP(=O)(OCC)c1cccc(C(F)F)c1.
What is the InChIKey of 1-diethoxyphosphoryl-3-(difluoromethyl)benzene?
The InChIKey is NLTKJXFDGGLACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)10-7-5-6-9(8-10)11(12)13/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-3-(difluoromethyl)benzene?
1-diethoxyphosphoryl-3-(difluoromethyl)benzene has a molecular weight of 264.21 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-3-(difluoromethyl)benzene is sourced from PubChem (CID 166609915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).