(4-fluorophenoxy)methyl dihydrogen phosphate

C7H8FO5P — CID 144610852

IUPAC(4-fluorophenoxy)methyl dihydrogen phosphate
SMILESO=P(O)(O)OCOc1ccc(F)cc1
InChIInChI=1S/C7H8FO5P/c8-6-1-3-7(4-2-6)12-5-13-14(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyAJPHAOQNCOZXRE-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.27
Rot. Bonds4

About (4-fluorophenoxy)methyl dihydrogen phosphate

(4-fluorophenoxy)methyl dihydrogen phosphate (PubChem CID 144610852) has the molecular formula C7H8FO5P and a molecular weight of 222.11 g/mol. Its IUPAC name is (4-fluorophenoxy)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(4-fluorophenoxy)methyl dihydrogen phosphate
PubChem CID144610852
Molecular FormulaC7H8FO5P
Molecular Weight222.11 g/mol
Exact Mass222.01
IUPAC Name(4-fluorophenoxy)methyl dihydrogen phosphate
SMILESO=P(O)(O)OCOc1ccc(F)cc1
InChIInChI=1S/C7H8FO5P/c8-6-1-3-7(4-2-6)12-5-13-14(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyAJPHAOQNCOZXRE-UHFFFAOYSA-N
XLogP1.27
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
2-fluoro-3-(4-fluorophenoxy)propanoic acid
CID 105454089
(4-fluorophenyl) methyl hydrogen phosphate
CID 57282245
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(4-fluorophenyl)methoxy-methylphosphinic acid
CID 87156273
4-(4-fluorophenoxy)butanamide
CID 43244704
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenoxy)methyl dihydrogen phosphate?
The IUPAC name of (4-fluorophenoxy)methyl dihydrogen phosphate (CID 144610852) is (4-fluorophenoxy)methyl dihydrogen phosphate.
What is the SMILES notation for (4-fluorophenoxy)methyl dihydrogen phosphate?
The canonical SMILES for (4-fluorophenoxy)methyl dihydrogen phosphate is O=P(O)(O)OCOc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenoxy)methyl dihydrogen phosphate?
The InChIKey is AJPHAOQNCOZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FO5P/c8-6-1-3-7(4-2-6)12-5-13-14(9,10)11/h1-4H,5H2,(H2,9,10,11).
What are the key properties of (4-fluorophenoxy)methyl dihydrogen phosphate?
(4-fluorophenoxy)methyl dihydrogen phosphate has a molecular weight of 222.11 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenoxy)methyl dihydrogen phosphate is sourced from PubChem (CID 144610852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).