1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene

C18H19F2O3P — CID 126689211

IUPAC1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
SMILESO=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C18H19F2O3P/c19-14-6-10-16(11-7-14)22-24(21,18-4-2-1-3-5-18)23-17-12-8-15(20)9-13-17/h6-13,18H,1-5H2
InChIKeyGXMVFGOKFSJGRX-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.95
Rot. Bonds5

About 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene

1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene (PubChem CID 126689211) has the molecular formula C18H19F2O3P and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene.

Molecular Properties

Compound Name1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
PubChem CID126689211
Molecular FormulaC18H19F2O3P
Molecular Weight352.32 g/mol
Exact Mass352.10
IUPAC Name1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
SMILESO=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C18H19F2O3P/c19-14-6-10-16(11-7-14)22-24(21,18-4-2-1-3-5-18)23-17-12-8-15(20)9-13-17/h6-13,18H,1-5H2
InChIKeyGXMVFGOKFSJGRX-UHFFFAOYSA-N
XLogP5.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
The IUPAC name of 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene (CID 126689211) is 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene.
What is the SMILES notation for 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
The canonical SMILES for 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene is O=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
The InChIKey is GXMVFGOKFSJGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2O3P/c19-14-6-10-16(11-7-14)22-24(21,18-4-2-1-3-5-18)23-17-12-8-15(20)9-13-17/h6-13,18H,1-5H2.
What are the key properties of 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene has a molecular weight of 352.32 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene is sourced from PubChem (CID 126689211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).