(4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane

C26H22FOP — CID 90888084

IUPAC(4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane
SMILESFc1ccc(COC=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22FOP/c27-23-18-16-22(17-19-23)20-28-21-29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2
InChIKeySADAEPFLSBGWMT-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.10
Rot. Bonds6

About (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane

(4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane (PubChem CID 90888084) has the molecular formula C26H22FOP and a molecular weight of 400.43 g/mol. Its IUPAC name is (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane
PubChem CID90888084
Molecular FormulaC26H22FOP
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane
SMILESFc1ccc(COC=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22FOP/c27-23-18-16-22(17-19-23)20-28-21-29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2
InChIKeySADAEPFLSBGWMT-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane?
The IUPAC name of (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane (CID 90888084) is (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane.
What is the SMILES notation for (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane?
The canonical SMILES for (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane is Fc1ccc(COC=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane?
The InChIKey is SADAEPFLSBGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FOP/c27-23-18-16-22(17-19-23)20-28-21-29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2.
What are the key properties of (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane?
(4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane has a molecular weight of 400.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methoxymethylidene-triphenyl-λ5-phosphane is sourced from PubChem (CID 90888084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).