phosphanyl 5-acetyl-2-fluorobenzoate

C9H8FO3P — CID 21302444

IUPACphosphanyl 5-acetyl-2-fluorobenzoate
SMILESCC(=O)c1ccc(F)c(C(=O)OP)c1
InChIInChI=1S/C9H8FO3P/c1-5(11)6-2-3-8(10)7(4-6)9(12)13-14/h2-4H,14H2,1H3
InChIKeyJPKPHHDPQSCUFY-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.98
Rot. Bonds2

About phosphanyl 5-acetyl-2-fluorobenzoate

phosphanyl 5-acetyl-2-fluorobenzoate (PubChem CID 21302444) has the molecular formula C9H8FO3P and a molecular weight of 214.13 g/mol. Its IUPAC name is phosphanyl 5-acetyl-2-fluorobenzoate.

Molecular Properties

Compound Namephosphanyl 5-acetyl-2-fluorobenzoate
PubChem CID21302444
Molecular FormulaC9H8FO3P
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Namephosphanyl 5-acetyl-2-fluorobenzoate
SMILESCC(=O)c1ccc(F)c(C(=O)OP)c1
InChIInChI=1S/C9H8FO3P/c1-5(11)6-2-3-8(10)7(4-6)9(12)13-14/h2-4H,14H2,1H3
InChIKeyJPKPHHDPQSCUFY-UHFFFAOYSA-N
XLogP1.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanyl 5-acetyl-2-fluorobenzoate?
The IUPAC name of phosphanyl 5-acetyl-2-fluorobenzoate (CID 21302444) is phosphanyl 5-acetyl-2-fluorobenzoate.
What is the SMILES notation for phosphanyl 5-acetyl-2-fluorobenzoate?
The canonical SMILES for phosphanyl 5-acetyl-2-fluorobenzoate is CC(=O)c1ccc(F)c(C(=O)OP)c1.
What is the InChIKey of phosphanyl 5-acetyl-2-fluorobenzoate?
The InChIKey is JPKPHHDPQSCUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FO3P/c1-5(11)6-2-3-8(10)7(4-6)9(12)13-14/h2-4H,14H2,1H3.
What are the key properties of phosphanyl 5-acetyl-2-fluorobenzoate?
phosphanyl 5-acetyl-2-fluorobenzoate has a molecular weight of 214.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 5-acetyl-2-fluorobenzoate is sourced from PubChem (CID 21302444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).