2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene

C17H22FO3P — CID 11823502

IUPAC2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene
SMILESCC(C)OP(=O)(OC(C)C)C(F)c1ccc2ccccc2c1
InChIInChI=1S/C17H22FO3P/c1-12(2)20-22(19,21-13(3)4)17(18)16-10-9-14-7-5-6-8-15(14)11-16/h5-13,17H,1-4H3
InChIKeyOLYDGBGQIUWJDF-UHFFFAOYSA-N
MW324.33 g/mol
LogP5.85
Rot. Bonds6

About 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene

2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene (PubChem CID 11823502) has the molecular formula C17H22FO3P and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene
PubChem CID11823502
Molecular FormulaC17H22FO3P
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene
SMILESCC(C)OP(=O)(OC(C)C)C(F)c1ccc2ccccc2c1
InChIInChI=1S/C17H22FO3P/c1-12(2)20-22(19,21-13(3)4)17(18)16-10-9-14-7-5-6-8-15(14)11-16/h5-13,17H,1-4H3
InChIKeyOLYDGBGQIUWJDF-UHFFFAOYSA-N
XLogP5.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 55.85
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 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene?
The IUPAC name of 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene (CID 11823502) is 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene is CC(C)OP(=O)(OC(C)C)C(F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene?
The InChIKey is OLYDGBGQIUWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FO3P/c1-12(2)20-22(19,21-13(3)4)17(18)16-10-9-14-7-5-6-8-15(14)11-16/h5-13,17H,1-4H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene?
2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene has a molecular weight of 324.33 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphoryl-fluoromethyl]naphthalene is sourced from PubChem (CID 11823502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).