bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane

C25H18BrF4P — CID 155907097

IUPACbromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane
SMILESFc1cc(F)c(F)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C25H18BrF4P/c26-31(18-10-4-1-5-11-18,19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-24(29)22(27)16-23(28)25(21)30/h1-16H,17H2
InChIKeyYGKASKYPQSHSAF-UHFFFAOYSA-N
MW505.29 g/mol
LogP6.58
Rot. Bonds5

About bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane

bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane (PubChem CID 155907097) has the molecular formula C25H18BrF4P and a molecular weight of 505.29 g/mol. Its IUPAC name is bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane
PubChem CID155907097
Molecular FormulaC25H18BrF4P
Molecular Weight505.29 g/mol
Exact Mass504.03
IUPAC Namebromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane
SMILESFc1cc(F)c(F)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C25H18BrF4P/c26-31(18-10-4-1-5-11-18,19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-24(29)22(27)16-23(28)25(21)30/h1-16H,17H2
InChIKeyYGKASKYPQSHSAF-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.29
LogP ≤ 56.58
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 bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane?
The IUPAC name of bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane (CID 155907097) is bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane.
What is the SMILES notation for bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane?
The canonical SMILES for bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane is Fc1cc(F)c(F)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1F.
What is the InChIKey of bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane?
The InChIKey is YGKASKYPQSHSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrF4P/c26-31(18-10-4-1-5-11-18,19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-24(29)22(27)16-23(28)25(21)30/h1-16H,17H2.
What are the key properties of bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane?
bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane has a molecular weight of 505.29 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-[(2,3,5,6-tetrafluorophenyl)methyl]-λ5-phosphane is sourced from PubChem (CID 155907097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).