1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane

C17H10F9P — CID 134934615

IUPAC1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane
SMILESC=C(Pc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H10F9P/c1-9(10-5-3-2-4-6-10)27-14-12(16(21,22)23)7-11(15(18,19)20)8-13(14)17(24,25)26/h2-8,27H,1H2
InChIKeyFDWZEOIEUCIDKP-UHFFFAOYSA-N
MW416.22 g/mol
LogP6.72
Rot. Bonds3

About 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane

1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane (PubChem CID 134934615) has the molecular formula C17H10F9P and a molecular weight of 416.22 g/mol. Its IUPAC name is 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane
PubChem CID134934615
Molecular FormulaC17H10F9P
Molecular Weight416.22 g/mol
Exact Mass416.04
IUPAC Name1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane
SMILESC=C(Pc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H10F9P/c1-9(10-5-3-2-4-6-10)27-14-12(16(21,22)23)7-11(15(18,19)20)8-13(14)17(24,25)26/h2-8,27H,1H2
InChIKeyFDWZEOIEUCIDKP-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.22
LogP ≤ 56.72
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 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
The IUPAC name of 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane (CID 134934615) is 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane is C=C(Pc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
The InChIKey is FDWZEOIEUCIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F9P/c1-9(10-5-3-2-4-6-10)27-14-12(16(21,22)23)7-11(15(18,19)20)8-13(14)17(24,25)26/h2-8,27H,1H2.
What are the key properties of 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane has a molecular weight of 416.22 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenyl-[2,4,6-tris(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 134934615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).