[4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane

C16H12F8P2 — CID 11486896

IUPAC[4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane
SMILESCP(C)c1c(F)c(F)c(-c2c(F)c(F)c(P(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F8P2/c1-25(2)15-11(21)7(17)5(8(18)12(15)22)6-9(19)13(23)16(26(3)4)14(24)10(6)20/h1-4H3
InChIKeyIMMTUMSBJOIJCB-UHFFFAOYSA-N
MW418.20 g/mol
LogP5.20
Rot. Bonds3

About [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane

[4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane (PubChem CID 11486896) has the molecular formula C16H12F8P2 and a molecular weight of 418.20 g/mol. Its IUPAC name is [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane.

Molecular Properties

Compound Name[4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane
PubChem CID11486896
Molecular FormulaC16H12F8P2
Molecular Weight418.20 g/mol
Exact Mass418.03
IUPAC Name[4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane
SMILESCP(C)c1c(F)c(F)c(-c2c(F)c(F)c(P(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F8P2/c1-25(2)15-11(21)7(17)5(8(18)12(15)22)6-9(19)13(23)16(26(3)4)14(24)10(6)20/h1-4H3
InChIKeyIMMTUMSBJOIJCB-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.20
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane?
The IUPAC name of [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane (CID 11486896) is [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane.
What is the SMILES notation for [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane?
The canonical SMILES for [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane is CP(C)c1c(F)c(F)c(-c2c(F)c(F)c(P(C)C)c(F)c2F)c(F)c1F.
What is the InChIKey of [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane?
The InChIKey is IMMTUMSBJOIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F8P2/c1-25(2)15-11(21)7(17)5(8(18)12(15)22)6-9(19)13(23)16(26(3)4)14(24)10(6)20/h1-4H3.
What are the key properties of [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane?
[4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane has a molecular weight of 418.20 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane is sourced from PubChem (CID 11486896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).