iodo-bis[4-(trifluoromethyl)phenyl]phosphane

C14H8F6IP — CID 134344295

IUPACiodo-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(I)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6IP/c15-13(16,17)9-1-5-11(6-2-9)22(21)12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKeyWXNFKQHRRQLYMC-UHFFFAOYSA-N
MW448.08 g/mol
LogP5.51
Rot. Bonds2

About iodo-bis[4-(trifluoromethyl)phenyl]phosphane

iodo-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 134344295) has the molecular formula C14H8F6IP and a molecular weight of 448.08 g/mol. Its IUPAC name is iodo-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Nameiodo-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID134344295
Molecular FormulaC14H8F6IP
Molecular Weight448.08 g/mol
Exact Mass447.93
IUPAC Nameiodo-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(I)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6IP/c15-13(16,17)9-1-5-11(6-2-9)22(21)12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKeyWXNFKQHRRQLYMC-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.08
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of iodo-bis[4-(trifluoromethyl)phenyl]phosphane (CID 134344295) is iodo-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for iodo-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for iodo-bis[4-(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(I)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of iodo-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is WXNFKQHRRQLYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6IP/c15-13(16,17)9-1-5-11(6-2-9)22(21)12-7-3-10(4-8-12)14(18,19)20/h1-8H.
What are the key properties of iodo-bis[4-(trifluoromethyl)phenyl]phosphane?
iodo-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 448.08 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 134344295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).