[fluoro(phenyl)methyl] dihydrogen phosphate

C7H8FO4P — CID 19734110

IUPAC[fluoro(phenyl)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(F)c1ccccc1
InChIInChI=1S/C7H8FO4P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)
InChIKeyHLFYPMGUMJGUEE-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.76
Rot. Bonds3

About [fluoro(phenyl)methyl] dihydrogen phosphate

[fluoro(phenyl)methyl] dihydrogen phosphate (PubChem CID 19734110) has the molecular formula C7H8FO4P and a molecular weight of 206.11 g/mol. Its IUPAC name is [fluoro(phenyl)methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[fluoro(phenyl)methyl] dihydrogen phosphate
PubChem CID19734110
Molecular FormulaC7H8FO4P
Molecular Weight206.11 g/mol
Exact Mass206.01
IUPAC Name[fluoro(phenyl)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(F)c1ccccc1
InChIInChI=1S/C7H8FO4P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)
InChIKeyHLFYPMGUMJGUEE-UHFFFAOYSA-N
XLogP1.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
[fluoro-[fluoro(phenyl)methoxy]methyl]benzene
CID 57162404
[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
CID 67285641
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
CID 175349156
[fluoro(phenyl)methyl] trifluoromethanesulfonate
CID 175221512
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
1-dibenzhydryloxyphosphorylethanol
CID 13148202
diphenylmethanamine;phosphoric acid
CID 67153031
sodium;hydride;1-phenyldodecyl dihydrogen phosphate
CID 174145365
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[bromo(phenyl)methyl]phosphonic acid
CID 11736830

Frequently Asked Questions

What is the IUPAC name of [fluoro(phenyl)methyl] dihydrogen phosphate?
The IUPAC name of [fluoro(phenyl)methyl] dihydrogen phosphate (CID 19734110) is [fluoro(phenyl)methyl] dihydrogen phosphate.
What is the SMILES notation for [fluoro(phenyl)methyl] dihydrogen phosphate?
The canonical SMILES for [fluoro(phenyl)methyl] dihydrogen phosphate is O=P(O)(O)OC(F)c1ccccc1.
What is the InChIKey of [fluoro(phenyl)methyl] dihydrogen phosphate?
The InChIKey is HLFYPMGUMJGUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FO4P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11).
What are the key properties of [fluoro(phenyl)methyl] dihydrogen phosphate?
[fluoro(phenyl)methyl] dihydrogen phosphate has a molecular weight of 206.11 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(phenyl)methyl] dihydrogen phosphate is sourced from PubChem (CID 19734110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).