1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene

C18H26FO2P — CID 66796490

IUPAC1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(c1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H26FO2P/c19-17-13-7-8-14-18(17)22(20,16-11-5-2-6-12-16)21-15-9-3-1-4-10-15/h7-8,13-16H,1-6,9-12H2
InChIKeyLUYMDIRGVRMZKS-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.41
Rot. Bonds4

About 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene

1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene (PubChem CID 66796490) has the molecular formula C18H26FO2P and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene
PubChem CID66796490
Molecular FormulaC18H26FO2P
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(c1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H26FO2P/c19-17-13-7-8-14-18(17)22(20,16-11-5-2-6-12-16)21-15-9-3-1-4-10-15/h7-8,13-16H,1-6,9-12H2
InChIKeyLUYMDIRGVRMZKS-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene 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 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene?
The IUPAC name of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene (CID 66796490) is 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene.
What is the SMILES notation for 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene?
The canonical SMILES for 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene is O=P(OC1CCCCC1)(c1ccccc1F)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene?
The InChIKey is LUYMDIRGVRMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FO2P/c19-17-13-7-8-14-18(17)22(20,16-11-5-2-6-12-16)21-15-9-3-1-4-10-15/h7-8,13-16H,1-6,9-12H2.
What are the key properties of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene?
1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene has a molecular weight of 324.38 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorobenzene is sourced from PubChem (CID 66796490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).