1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene

C9H9F4O4P — CID 12663676

IUPAC1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene
SMILESCOc1c(F)c(F)c(F)c(F)c1P(=O)(OC)OC
InChIInChI=1S/C9H9F4O4P/c1-15-8-6(12)4(10)5(11)7(13)9(8)18(14,16-2)17-3/h1-3H3
InChIKeyYQLXXGDWFQLMGD-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.36
Rot. Bonds4

About 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene

1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene (PubChem CID 12663676) has the molecular formula C9H9F4O4P and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene
PubChem CID12663676
Molecular FormulaC9H9F4O4P
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene
SMILESCOc1c(F)c(F)c(F)c(F)c1P(=O)(OC)OC
InChIInChI=1S/C9H9F4O4P/c1-15-8-6(12)4(10)5(11)7(13)9(8)18(14,16-2)17-3/h1-3H3
InChIKeyYQLXXGDWFQLMGD-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene?
The IUPAC name of 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene (CID 12663676) is 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene.
What is the SMILES notation for 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene?
The canonical SMILES for 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene is COc1c(F)c(F)c(F)c(F)c1P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene?
The InChIKey is YQLXXGDWFQLMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4O4P/c1-15-8-6(12)4(10)5(11)7(13)9(8)18(14,16-2)17-3/h1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene?
1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene has a molecular weight of 288.13 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2,3,4,5-tetrafluoro-6-methoxybenzene is sourced from PubChem (CID 12663676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).