1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene

C18H12F3OP — CID 23234470

IUPAC1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene
SMILESO=P(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H12F3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H
InChIKeyUUJSPDILVMFWIA-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.74
Rot. Bonds3

About 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene

1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene (PubChem CID 23234470) has the molecular formula C18H12F3OP and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene.

Molecular Properties

Compound Name1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene
PubChem CID23234470
Molecular FormulaC18H12F3OP
Molecular Weight332.26 g/mol
Exact Mass332.06
IUPAC Name1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene
SMILESO=P(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H12F3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H
InChIKeyUUJSPDILVMFWIA-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.74
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 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene?
The IUPAC name of 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene (CID 23234470) is 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene.
What is the SMILES notation for 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene?
The canonical SMILES for 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene is O=P(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene?
The InChIKey is UUJSPDILVMFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H.
What are the key properties of 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene?
1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene has a molecular weight of 332.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene is sourced from PubChem (CID 23234470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).