difluoro-tris(4-methylphenyl)-lambda5-phosphane

C21H21F2P — CID 15182993

IUPACdifluoro-tris(4-methylphenyl)-lambda5-phosphane
SMILESCc1ccc(P(F)(F)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21F2P/c1-16-4-10-19(11-5-16)24(22,23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyJIJXMEQLLWWQSW-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.21
Rot. Bonds3

About difluoro-tris(4-methylphenyl)-lambda5-phosphane

difluoro-tris(4-methylphenyl)-lambda5-phosphane (PubChem CID 15182993) has the molecular formula C21H21F2P and a molecular weight of 342.37 g/mol. Its IUPAC name is difluoro-tris(4-methylphenyl)-lambda5-phosphane.

Molecular Properties

Compound Namedifluoro-tris(4-methylphenyl)-lambda5-phosphane
PubChem CID15182993
Molecular FormulaC21H21F2P
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Namedifluoro-tris(4-methylphenyl)-lambda5-phosphane
SMILESCc1ccc(P(F)(F)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21F2P/c1-16-4-10-19(11-5-16)24(22,23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyJIJXMEQLLWWQSW-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro-tris(4-methylphenyl)-lambda5-phosphane?
The IUPAC name of difluoro-tris(4-methylphenyl)-lambda5-phosphane (CID 15182993) is difluoro-tris(4-methylphenyl)-lambda5-phosphane.
What is the SMILES notation for difluoro-tris(4-methylphenyl)-lambda5-phosphane?
The canonical SMILES for difluoro-tris(4-methylphenyl)-lambda5-phosphane is Cc1ccc(P(F)(F)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of difluoro-tris(4-methylphenyl)-lambda5-phosphane?
The InChIKey is JIJXMEQLLWWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2P/c1-16-4-10-19(11-5-16)24(22,23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of difluoro-tris(4-methylphenyl)-lambda5-phosphane?
difluoro-tris(4-methylphenyl)-lambda5-phosphane has a molecular weight of 342.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-tris(4-methylphenyl)-lambda5-phosphane is sourced from PubChem (CID 15182993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).