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

C18H20FO2P — CID 66796353

IUPAC1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H20FO2P/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/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyJNZVZYUVZWIEGR-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.40
Rot. Bonds4

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

1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene (PubChem CID 66796353) has the molecular formula C18H20FO2P and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene
PubChem CID66796353
Molecular FormulaC18H20FO2P
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene
SMILESO=P(OC1CCCCC1)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H20FO2P/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/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyJNZVZYUVZWIEGR-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.40
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(phenyl)phosphoryl]-2-fluorobenzene?
The IUPAC name of 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene (CID 66796353) is 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene.
What is the SMILES notation for 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene?
The canonical SMILES for 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene is O=P(OC1CCCCC1)(c1ccccc1)c1ccccc1F.
What is the InChIKey of 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene?
The InChIKey is JNZVZYUVZWIEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FO2P/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/h2,5-8,11-15H,1,3-4,9-10H2.
What are the key properties of 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene?
1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene has a molecular weight of 318.33 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyloxy(phenyl)phosphoryl]-2-fluorobenzene is sourced from PubChem (CID 66796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).