[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane

C24H14F5P — CID 158378188

IUPAC[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
SMILESFc1c(F)c(F)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C24H14F5P/c25-20-19(21(26)23(28)24(29)22(20)27)17-13-7-8-14-18(17)30(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyGVCXAAGOMJGSFS-UHFFFAOYSA-N
MW428.34 g/mol
LogP5.81
Rot. Bonds4

About [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane

[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane (PubChem CID 158378188) has the molecular formula C24H14F5P and a molecular weight of 428.34 g/mol. Its IUPAC name is [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
PubChem CID158378188
Molecular FormulaC24H14F5P
Molecular Weight428.34 g/mol
Exact Mass428.08
IUPAC Name[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
SMILESFc1c(F)c(F)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C24H14F5P/c25-20-19(21(26)23(28)24(29)22(20)27)17-13-7-8-14-18(17)30(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyGVCXAAGOMJGSFS-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.34
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
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CID 172844623
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
CID 151969344
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591
[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
CID 11607115
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CID 177151312
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CID 139056248

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane (CID 158378188) is [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane is Fc1c(F)c(F)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane?
The InChIKey is GVCXAAGOMJGSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5P/c25-20-19(21(26)23(28)24(29)22(20)27)17-13-7-8-14-18(17)30(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane?
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane has a molecular weight of 428.34 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 158378188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).