dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane

C8H6Br2F3OP — CID 23135573

IUPACdibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane
SMILESCOc1ccc(C(F)(F)F)c(P(Br)Br)c1
InChIInChI=1S/C8H6Br2F3OP/c1-14-5-2-3-6(8(11,12)13)7(4-5)15(9)10/h2-4H,1H3
InChIKeyVMIYNQRMZWTGQN-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.44
Rot. Bonds2

About dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane

dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane (PubChem CID 23135573) has the molecular formula C8H6Br2F3OP and a molecular weight of 365.91 g/mol. Its IUPAC name is dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Namedibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane
PubChem CID23135573
Molecular FormulaC8H6Br2F3OP
Molecular Weight365.91 g/mol
Exact Mass363.85
IUPAC Namedibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane
SMILESCOc1ccc(C(F)(F)F)c(P(Br)Br)c1
InChIInChI=1S/C8H6Br2F3OP/c1-14-5-2-3-6(8(11,12)13)7(4-5)15(9)10/h2-4H,1H3
InChIKeyVMIYNQRMZWTGQN-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane (CID 23135573) is dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane is COc1ccc(C(F)(F)F)c(P(Br)Br)c1.
What is the InChIKey of dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane?
The InChIKey is VMIYNQRMZWTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F3OP/c1-14-5-2-3-6(8(11,12)13)7(4-5)15(9)10/h2-4H,1H3.
What are the key properties of dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane?
dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane has a molecular weight of 365.91 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 23135573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).