1-dicyclohexyloxyphosphoryl-2-fluorobenzene

C18H26FO3P — CID 87155317

IUPAC1-dicyclohexyloxyphosphoryl-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(OC1CCCCC1)c1ccccc1F
InChIInChI=1S/C18H26FO3P/c19-17-13-7-8-14-18(17)23(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyLTWXTPRHBRBNSI-UHFFFAOYSA-N
MW340.37 g/mol
LogP5.34
Rot. Bonds5

About 1-dicyclohexyloxyphosphoryl-2-fluorobenzene

1-dicyclohexyloxyphosphoryl-2-fluorobenzene (PubChem CID 87155317) has the molecular formula C18H26FO3P and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-dicyclohexyloxyphosphoryl-2-fluorobenzene.

Molecular Properties

Compound Name1-dicyclohexyloxyphosphoryl-2-fluorobenzene
PubChem CID87155317
Molecular FormulaC18H26FO3P
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name1-dicyclohexyloxyphosphoryl-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(OC1CCCCC1)c1ccccc1F
InChIInChI=1S/C18H26FO3P/c19-17-13-7-8-14-18(17)23(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyLTWXTPRHBRBNSI-UHFFFAOYSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.37
LogP ≤ 55.34
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-dicyclohexyloxyphosphoryl-2-fluorobenzene?
The IUPAC name of 1-dicyclohexyloxyphosphoryl-2-fluorobenzene (CID 87155317) is 1-dicyclohexyloxyphosphoryl-2-fluorobenzene.
What is the SMILES notation for 1-dicyclohexyloxyphosphoryl-2-fluorobenzene?
The canonical SMILES for 1-dicyclohexyloxyphosphoryl-2-fluorobenzene is O=P(OC1CCCCC1)(OC1CCCCC1)c1ccccc1F.
What is the InChIKey of 1-dicyclohexyloxyphosphoryl-2-fluorobenzene?
The InChIKey is LTWXTPRHBRBNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FO3P/c19-17-13-7-8-14-18(17)23(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2.
What are the key properties of 1-dicyclohexyloxyphosphoryl-2-fluorobenzene?
1-dicyclohexyloxyphosphoryl-2-fluorobenzene has a molecular weight of 340.37 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dicyclohexyloxyphosphoryl-2-fluorobenzene is sourced from PubChem (CID 87155317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).