2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane

C28H22F6P2 — CID 13332989

IUPAC2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane
SMILESFC(F)(F)c1cccc(P(CCP(c2ccccc2)c2ccccc2)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H22F6P2/c29-27(30,31)21-9-7-15-25(19-21)36(26-16-8-10-22(20-26)28(32,33)34)18-17-35(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-16,19-20H,17-18H2
InChIKeyLUIGACRAUNPMLD-UHFFFAOYSA-N
MW534.42 g/mol
LogP7.29
Rot. Bonds7

About 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane

2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane (PubChem CID 13332989) has the molecular formula C28H22F6P2 and a molecular weight of 534.42 g/mol. Its IUPAC name is 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane.

Molecular Properties

Compound Name2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane
PubChem CID13332989
Molecular FormulaC28H22F6P2
Molecular Weight534.42 g/mol
Exact Mass534.11
IUPAC Name2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane
SMILESFC(F)(F)c1cccc(P(CCP(c2ccccc2)c2ccccc2)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H22F6P2/c29-27(30,31)21-9-7-15-25(19-21)36(26-16-8-10-22(20-26)28(32,33)34)18-17-35(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-16,19-20H,17-18H2
InChIKeyLUIGACRAUNPMLD-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.42
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane?
The IUPAC name of 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane (CID 13332989) is 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane.
What is the SMILES notation for 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane?
The canonical SMILES for 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane is FC(F)(F)c1cccc(P(CCP(c2ccccc2)c2ccccc2)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane?
The InChIKey is LUIGACRAUNPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F6P2/c29-27(30,31)21-9-7-15-25(19-21)36(26-16-8-10-22(20-26)28(32,33)34)18-17-35(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-16,19-20H,17-18H2.
What are the key properties of 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane?
2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane has a molecular weight of 534.42 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane is sourced from PubChem (CID 13332989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).