bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene

C18H25F2O3P — CID 87624151

IUPACbis[(2-fluorocyclohexyl)oxy]phosphorylbenzene
SMILESO=P(OC1CCCCC1F)(OC1CCCCC1F)c1ccccc1
InChIInChI=1S/C18H25F2O3P/c19-15-10-4-6-12-17(15)22-24(21,14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20/h1-3,8-9,15-18H,4-7,10-13H2
InChIKeyKZDRGXFXTYFBBJ-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.10
Rot. Bonds5

About bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene

bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene (PubChem CID 87624151) has the molecular formula C18H25F2O3P and a molecular weight of 358.37 g/mol. Its IUPAC name is bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene.

Molecular Properties

Compound Namebis[(2-fluorocyclohexyl)oxy]phosphorylbenzene
PubChem CID87624151
Molecular FormulaC18H25F2O3P
Molecular Weight358.37 g/mol
Exact Mass358.15
IUPAC Namebis[(2-fluorocyclohexyl)oxy]phosphorylbenzene
SMILESO=P(OC1CCCCC1F)(OC1CCCCC1F)c1ccccc1
InChIInChI=1S/C18H25F2O3P/c19-15-10-4-6-12-17(15)22-24(21,14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20/h1-3,8-9,15-18H,4-7,10-13H2
InChIKeyKZDRGXFXTYFBBJ-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene 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 bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene?
The IUPAC name of bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene (CID 87624151) is bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene.
What is the SMILES notation for bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene?
The canonical SMILES for bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene is O=P(OC1CCCCC1F)(OC1CCCCC1F)c1ccccc1.
What is the InChIKey of bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene?
The InChIKey is KZDRGXFXTYFBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2O3P/c19-15-10-4-6-12-17(15)22-24(21,14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20/h1-3,8-9,15-18H,4-7,10-13H2.
What are the key properties of bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene?
bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene has a molecular weight of 358.37 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-fluorocyclohexyl)oxy]phosphorylbenzene is sourced from PubChem (CID 87624151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).