[chloro(fluoro)phosphoryl]benzene

C6H5ClFOP — CID 2785298

IUPAC[chloro(fluoro)phosphoryl]benzene
SMILESO=P(F)(Cl)c1ccccc1
InChIInChI=1S/C6H5ClFOP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyKXHKXTQKXYKFMC-UHFFFAOYSA-N
MW178.53 g/mol
LogP2.71
Rot. Bonds1

About [chloro(fluoro)phosphoryl]benzene

[chloro(fluoro)phosphoryl]benzene (PubChem CID 2785298) has the molecular formula C6H5ClFOP and a molecular weight of 178.53 g/mol. Its IUPAC name is [chloro(fluoro)phosphoryl]benzene.

Molecular Properties

Compound Name[chloro(fluoro)phosphoryl]benzene
PubChem CID2785298
Molecular FormulaC6H5ClFOP
Molecular Weight178.53 g/mol
Exact Mass177.98
IUPAC Name[chloro(fluoro)phosphoryl]benzene
SMILESO=P(F)(Cl)c1ccccc1
InChIInChI=1S/C6H5ClFOP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyKXHKXTQKXYKFMC-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(fluoro)phosphoryl]benzene?
The IUPAC name of [chloro(fluoro)phosphoryl]benzene (CID 2785298) is [chloro(fluoro)phosphoryl]benzene.
What is the SMILES notation for [chloro(fluoro)phosphoryl]benzene?
The canonical SMILES for [chloro(fluoro)phosphoryl]benzene is O=P(F)(Cl)c1ccccc1.
What is the InChIKey of [chloro(fluoro)phosphoryl]benzene?
The InChIKey is KXHKXTQKXYKFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFOP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of [chloro(fluoro)phosphoryl]benzene?
[chloro(fluoro)phosphoryl]benzene has a molecular weight of 178.53 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(fluoro)phosphoryl]benzene is sourced from PubChem (CID 2785298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).