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

C18H19F2O2P — CID 66796928

IUPAC1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H19F2O2P/c19-15-10-4-6-12-17(15)23(21,18-13-7-5-11-16(18)20)22-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2
InChIKeyZWHVSYSQXMJLJB-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.54
Rot. Bonds4

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

1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene (PubChem CID 66796928) has the molecular formula C18H19F2O2P and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene
PubChem CID66796928
Molecular FormulaC18H19F2O2P
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H19F2O2P/c19-15-10-4-6-12-17(15)23(21,18-13-7-5-11-16(18)20)22-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2
InChIKeyZWHVSYSQXMJLJB-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene?
The IUPAC name of 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene (CID 66796928) is 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene.
What is the SMILES notation for 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene?
The canonical SMILES for 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene is O=P(OC1CCCCC1)(c1ccccc1F)c1ccccc1F.
What is the InChIKey of 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene?
The InChIKey is ZWHVSYSQXMJLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2O2P/c19-15-10-4-6-12-17(15)23(21,18-13-7-5-11-16(18)20)22-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2.
What are the key properties of 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene?
1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene has a molecular weight of 336.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyloxy-(2-fluorophenyl)phosphoryl]-2-fluorobenzene is sourced from PubChem (CID 66796928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).