cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite

C22H36FO4P — CID 67573110

IUPACcyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite
SMILESCCOc1cc(C(C)(C)C)c(OP(OF)OC2CCCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C22H36FO4P/c1-8-24-17-14-18(21(2,3)4)20(19(15-17)22(5,6)7)26-28(27-23)25-16-12-10-9-11-13-16/h14-16H,8-13H2,1-7H3
InChIKeyVEAARIPTHPVESO-UHFFFAOYSA-N
MW414.50 g/mol
LogP7.54
Rot. Bonds7

About cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite

cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite (PubChem CID 67573110) has the molecular formula C22H36FO4P and a molecular weight of 414.50 g/mol. Its IUPAC name is cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite.

Molecular Properties

Compound Namecyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite
PubChem CID67573110
Molecular FormulaC22H36FO4P
Molecular Weight414.50 g/mol
Exact Mass414.23
IUPAC Namecyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite
SMILESCCOc1cc(C(C)(C)C)c(OP(OF)OC2CCCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C22H36FO4P/c1-8-24-17-14-18(21(2,3)4)20(19(15-17)22(5,6)7)26-28(27-23)25-16-12-10-9-11-13-16/h14-16H,8-13H2,1-7H3
InChIKeyVEAARIPTHPVESO-UHFFFAOYSA-N
XLogP7.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite?
The IUPAC name of cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite (CID 67573110) is cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite.
What is the SMILES notation for cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite?
The canonical SMILES for cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite is CCOc1cc(C(C)(C)C)c(OP(OF)OC2CCCCC2)c(C(C)(C)C)c1.
What is the InChIKey of cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite?
The InChIKey is VEAARIPTHPVESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36FO4P/c1-8-24-17-14-18(21(2,3)4)20(19(15-17)22(5,6)7)26-28(27-23)25-16-12-10-9-11-13-16/h14-16H,8-13H2,1-7H3.
What are the key properties of cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite?
cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite has a molecular weight of 414.50 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite is sourced from PubChem (CID 67573110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).