fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid

C17H20FO3P — CID 173048875

IUPACfluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid
SMILESCc1ccc(-c2cc(CC(C)C)ccc2OP(=O)(O)F)cc1
InChIInChI=1S/C17H20FO3P/c1-12(2)10-14-6-9-17(21-22(18,19)20)16(11-14)15-7-4-13(3)5-8-15/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyBHBFYBDSAUENCQ-UHFFFAOYSA-N
MW322.32 g/mol
LogP5.31
Rot. Bonds5

About fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid

fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid (PubChem CID 173048875) has the molecular formula C17H20FO3P and a molecular weight of 322.32 g/mol. Its IUPAC name is fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid.

Molecular Properties

Compound Namefluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid
PubChem CID173048875
Molecular FormulaC17H20FO3P
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Namefluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid
SMILESCc1ccc(-c2cc(CC(C)C)ccc2OP(=O)(O)F)cc1
InChIInChI=1S/C17H20FO3P/c1-12(2)10-14-6-9-17(21-22(18,19)20)16(11-14)15-7-4-13(3)5-8-15/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyBHBFYBDSAUENCQ-UHFFFAOYSA-N
XLogP5.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.32
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid?
The IUPAC name of fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid (CID 173048875) is fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid.
What is the SMILES notation for fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid?
The canonical SMILES for fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid is Cc1ccc(-c2cc(CC(C)C)ccc2OP(=O)(O)F)cc1.
What is the InChIKey of fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid?
The InChIKey is BHBFYBDSAUENCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FO3P/c1-12(2)10-14-6-9-17(21-22(18,19)20)16(11-14)15-7-4-13(3)5-8-15/h4-9,11-12H,10H2,1-3H3,(H,19,20).
What are the key properties of fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid?
fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid has a molecular weight of 322.32 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[2-(4-methylphenyl)-4-(2-methylpropyl)phenoxy]phosphinic acid is sourced from PubChem (CID 173048875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).