amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate

C8H9FNO5P — CID 163230115

IUPACamino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate
SMILESCc1cc(F)c(OP(=O)(O)ON)c(C=O)c1
InChIInChI=1S/C8H9FNO5P/c1-5-2-6(4-11)8(7(9)3-5)14-16(12,13)15-10/h2-4H,10H2,1H3,(H,12,13)
InChIKeyAOAJSVYJTQFCNX-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.32
Rot. Bonds4

About amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate

amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate (PubChem CID 163230115) has the molecular formula C8H9FNO5P and a molecular weight of 249.13 g/mol. Its IUPAC name is amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate.

Molecular Properties

Compound Nameamino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate
PubChem CID163230115
Molecular FormulaC8H9FNO5P
Molecular Weight249.13 g/mol
Exact Mass249.02
IUPAC Nameamino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate
SMILESCc1cc(F)c(OP(=O)(O)ON)c(C=O)c1
InChIInChI=1S/C8H9FNO5P/c1-5-2-6(4-11)8(7(9)3-5)14-16(12,13)15-10/h2-4H,10H2,1H3,(H,12,13)
InChIKeyAOAJSVYJTQFCNX-UHFFFAOYSA-N
XLogP1.32
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2,5-dimethylbenzaldehyde
CID 84763320
methyl 2-fluoro-6-formyl-4-methylbenzoate
CID 171011352
N-(2-fluoro-6-formyl-4-methylphenyl)acetamide
CID 84773346
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
CID 164892812
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
3-acetyl-2-chloro-5-methylbenzaldehyde
CID 171003545
3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476
ethyl 2-(2-fluoro-4,6-dimethylphenoxy)-4-formylpyridine-3-carboxylate
CID 90167369
3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354

Frequently Asked Questions

What is the IUPAC name of amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate?
The IUPAC name of amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate (CID 163230115) is amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate.
What is the SMILES notation for amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate?
The canonical SMILES for amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate is Cc1cc(F)c(OP(=O)(O)ON)c(C=O)c1.
What is the InChIKey of amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate?
The InChIKey is AOAJSVYJTQFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FNO5P/c1-5-2-6(4-11)8(7(9)3-5)14-16(12,13)15-10/h2-4H,10H2,1H3,(H,12,13).
What are the key properties of amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate?
amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate has a molecular weight of 249.13 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate is sourced from PubChem (CID 163230115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).