1,2,3,4,5-pentafluoro-6-phenylselanylbenzene

C12H5F5Se — CID 12721561

IUPAC1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
SMILESFc1c(F)c(F)c([Se]c2ccccc2)c(F)c1F
InChIInChI=1S/C12H5F5Se/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5H
InChIKeyIMULEYSXLXOBDZ-UHFFFAOYSA-N
MW323.12 g/mol
LogP2.04
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene

1,2,3,4,5-pentafluoro-6-phenylselanylbenzene (PubChem CID 12721561) has the molecular formula C12H5F5Se and a molecular weight of 323.12 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
PubChem CID12721561
Molecular FormulaC12H5F5Se
Molecular Weight323.12 g/mol
Exact Mass323.95
IUPAC Name1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
SMILESFc1c(F)c(F)c([Se]c2ccccc2)c(F)c1F
InChIInChI=1S/C12H5F5Se/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5H
InChIKeyIMULEYSXLXOBDZ-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene (CID 12721561) is 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene is Fc1c(F)c(F)c([Se]c2ccccc2)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene?
The InChIKey is IMULEYSXLXOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5Se/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene?
1,2,3,4,5-pentafluoro-6-phenylselanylbenzene has a molecular weight of 323.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-phenylselanylbenzene is sourced from PubChem (CID 12721561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).