fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate

C15H11F2O3P — CID 145059451

IUPACfluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate
SMILESCc1ccc(C(=O)OF)cc1-c1cc(F)c(C=O)c(P)c1
InChIInChI=1S/C15H11F2O3P/c1-8-2-3-9(15(19)20-17)4-11(8)10-5-13(16)12(7-18)14(21)6-10/h2-7H,21H2,1H3
InChIKeyQHCVBFVSJQTQAV-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.16
Rot. Bonds3

About fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate

fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate (PubChem CID 145059451) has the molecular formula C15H11F2O3P and a molecular weight of 308.22 g/mol. Its IUPAC name is fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate.

Molecular Properties

Compound Namefluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate
PubChem CID145059451
Molecular FormulaC15H11F2O3P
Molecular Weight308.22 g/mol
Exact Mass308.04
IUPAC Namefluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate
SMILESCc1ccc(C(=O)OF)cc1-c1cc(F)c(C=O)c(P)c1
InChIInChI=1S/C15H11F2O3P/c1-8-2-3-9(15(19)20-17)4-11(8)10-5-13(16)12(7-18)14(21)6-10/h2-7H,21H2,1H3
InChIKeyQHCVBFVSJQTQAV-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate?
The IUPAC name of fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate (CID 145059451) is fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate.
What is the SMILES notation for fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate?
The canonical SMILES for fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate is Cc1ccc(C(=O)OF)cc1-c1cc(F)c(C=O)c(P)c1.
What is the InChIKey of fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate?
The InChIKey is QHCVBFVSJQTQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2O3P/c1-8-2-3-9(15(19)20-17)4-11(8)10-5-13(16)12(7-18)14(21)6-10/h2-7H,21H2,1H3.
What are the key properties of fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate?
fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate has a molecular weight of 308.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(3-fluoro-4-formyl-5-phosphanylphenyl)-4-methylbenzoate is sourced from PubChem (CID 145059451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).