(4-fluorophenyl) methyl hydrogen phosphate

C7H8FO4P — CID 57282245

IUPAC(4-fluorophenyl) methyl hydrogen phosphate
SMILESCOP(=O)(O)Oc1ccc(F)cc1
InChIInChI=1S/C7H8FO4P/c1-11-13(9,10)12-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)
InChIKeyHXAWNCLRGFULKN-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.95
Rot. Bonds3

About (4-fluorophenyl) methyl hydrogen phosphate

(4-fluorophenyl) methyl hydrogen phosphate (PubChem CID 57282245) has the molecular formula C7H8FO4P and a molecular weight of 206.11 g/mol. Its IUPAC name is (4-fluorophenyl) methyl hydrogen phosphate.

Molecular Properties

Compound Name(4-fluorophenyl) methyl hydrogen phosphate
PubChem CID57282245
Molecular FormulaC7H8FO4P
Molecular Weight206.11 g/mol
Exact Mass206.01
IUPAC Name(4-fluorophenyl) methyl hydrogen phosphate
SMILESCOP(=O)(O)Oc1ccc(F)cc1
InChIInChI=1S/C7H8FO4P/c1-11-13(9,10)12-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)
InChIKeyHXAWNCLRGFULKN-UHFFFAOYSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[hydroxy(methoxy)phosphoryl]oxyphenoxy]phenoxy]-(trifluoromethyl)phosphinic acid
CID 118859907
[4-[hydroxy(phosphonooxy)phosphoryl]oxyphenyl] phosphono hydrogen phosphate
CID 87621528
methyl [4-(3-oxobutyl)phenyl] hydrogen phosphate
CID 90377055
1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 5304101
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062
(4-dodecylphenyl) methyl hydrogen phosphate
CID 57162479
bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
CID 101464521
1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate
CID 71428714
dimethyl (4-methylsulfanylphenyl) phosphate
CID 18621
1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
CID 174748805
2-[bis(4-fluorophenoxy)phosphorylmethylamino]acetonitrile
CID 54198264

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) methyl hydrogen phosphate?
The IUPAC name of (4-fluorophenyl) methyl hydrogen phosphate (CID 57282245) is (4-fluorophenyl) methyl hydrogen phosphate.
What is the SMILES notation for (4-fluorophenyl) methyl hydrogen phosphate?
The canonical SMILES for (4-fluorophenyl) methyl hydrogen phosphate is COP(=O)(O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) methyl hydrogen phosphate?
The InChIKey is HXAWNCLRGFULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FO4P/c1-11-13(9,10)12-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10).
What are the key properties of (4-fluorophenyl) methyl hydrogen phosphate?
(4-fluorophenyl) methyl hydrogen phosphate has a molecular weight of 206.11 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) methyl hydrogen phosphate is sourced from PubChem (CID 57282245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).