1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene

C10H10F5O3P — CID 602253

IUPAC1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene
SMILESCCOP(C)(=O)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5O3P/c1-3-17-19(2,16)18-4-5-6(11)8(13)10(15)9(14)7(5)12/h3-4H2,1-2H3
InChIKeyAUEXHZCOVPGGMI-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.76
Rot. Bonds5

About 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene

1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 602253) has the molecular formula C10H10F5O3P and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID602253
Molecular FormulaC10H10F5O3P
Molecular Weight304.15 g/mol
Exact Mass304.03
IUPAC Name1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene
SMILESCCOP(C)(=O)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5O3P/c1-3-17-19(2,16)18-4-5-6(11)8(13)10(15)9(14)7(5)12/h3-4H2,1-2H3
InChIKeyAUEXHZCOVPGGMI-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1,2,3,4,5-pentafluoro-6-[[methyl(propan-2-yloxy)phosphoryl]oxymethyl]benzene
CID 602582
diethyl (2,3,4,5,6-pentafluorophenyl) phosphate
CID 15396735
4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
CID 160840726
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
CID 12954709
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
1,2,3,4,5-pentafluoro-6-(methylperoxymethyl)benzene
CID 58861663
(2,3,4,5,6-pentafluorophenyl)methyl butanoate
CID 14205588
2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate
CID 91727445
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
1-chloro-1-diethoxyphosphorylethene
CID 11481045

Frequently Asked Questions

What is the IUPAC name of 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene (CID 602253) is 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene is CCOP(C)(=O)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is AUEXHZCOVPGGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5O3P/c1-3-17-19(2,16)18-4-5-6(11)8(13)10(15)9(14)7(5)12/h3-4H2,1-2H3.
What are the key properties of 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene?
1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 304.15 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethoxy(methyl)phosphoryl]oxymethyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 602253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).