(2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane

C25H16F5P — CID 12866566

IUPAC(2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane
SMILESFc1c(F)c(F)c(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C25H16F5P/c26-21-20(22(27)24(29)25(30)23(21)28)16-31(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyMYWXUSIAWBOYOL-UHFFFAOYSA-N
MW442.37 g/mol
LogP5.53
Rot. Bonds4

About (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane

(2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane (PubChem CID 12866566) has the molecular formula C25H16F5P and a molecular weight of 442.37 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane
PubChem CID12866566
Molecular FormulaC25H16F5P
Molecular Weight442.37 g/mol
Exact Mass442.09
IUPAC Name(2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane
SMILESFc1c(F)c(F)c(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C25H16F5P/c26-21-20(22(27)24(29)25(30)23(21)28)16-31(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyMYWXUSIAWBOYOL-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 55.53
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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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane (CID 12866566) is (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane is Fc1c(F)c(F)c(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane?
The InChIKey is MYWXUSIAWBOYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F5P/c26-21-20(22(27)24(29)25(30)23(21)28)16-31(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane?
(2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane has a molecular weight of 442.37 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)methylidene-triphenyl-lambda5-phosphane is sourced from PubChem (CID 12866566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).