bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite

C18H5F10O3P — CID 21115590

IUPACbis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite
SMILESFc1c(F)c(F)c(OP(Oc2ccccc2)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H5F10O3P/c19-7-9(21)13(25)17(14(26)10(7)22)30-32(29-6-4-2-1-3-5-6)31-18-15(27)11(23)8(20)12(24)16(18)28/h1-5H
InChIKeyNIXDKPKOZYHAIG-UHFFFAOYSA-N
MW490.19 g/mol
LogP6.84
Rot. Bonds6

About bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite

bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite (PubChem CID 21115590) has the molecular formula C18H5F10O3P and a molecular weight of 490.19 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite
PubChem CID21115590
Molecular FormulaC18H5F10O3P
Molecular Weight490.19 g/mol
Exact Mass489.98
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite
SMILESFc1c(F)c(F)c(OP(Oc2ccccc2)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H5F10O3P/c19-7-9(21)13(25)17(14(26)10(7)22)30-32(29-6-4-2-1-3-5-6)31-18-15(27)11(23)8(20)12(24)16(18)28/h1-5H
InChIKeyNIXDKPKOZYHAIG-UHFFFAOYSA-N
XLogP6.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.19
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite (CID 21115590) is bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite is Fc1c(F)c(F)c(OP(Oc2ccccc2)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite?
The InChIKey is NIXDKPKOZYHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H5F10O3P/c19-7-9(21)13(25)17(14(26)10(7)22)30-32(29-6-4-2-1-3-5-6)31-18-15(27)11(23)8(20)12(24)16(18)28/h1-5H.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite?
bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite has a molecular weight of 490.19 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite is sourced from PubChem (CID 21115590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).