1,2,3,4,5-pentafluorobenzene-6-ide

C6F5- — CID 23233864

IUPAC1,2,3,4,5-pentafluorobenzene-6-ide
SMILESFc1[c-]c(F)c(F)c(F)c1F
InChIInChI=1S/C6F5/c7-2-1-3(8)5(10)6(11)4(2)9/q-1
InChIKeyFSCMPBVDHVPYGE-UHFFFAOYSA-N
MW167.06 g/mol
LogP2.18
Rot. Bonds

About 1,2,3,4,5-pentafluorobenzene-6-ide

1,2,3,4,5-pentafluorobenzene-6-ide (PubChem CID 23233864) has the molecular formula C6F5- and a molecular weight of 167.06 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluorobenzene-6-ide.

Molecular Properties

Compound Name1,2,3,4,5-pentafluorobenzene-6-ide
PubChem CID23233864
Molecular FormulaC6F5-
Molecular Weight167.06 g/mol
Exact Mass166.99
IUPAC Name1,2,3,4,5-pentafluorobenzene-6-ide
SMILESFc1[c-]c(F)c(F)c(F)c1F
InChIInChI=1S/C6F5/c7-2-1-3(8)5(10)6(11)4(2)9/q-1
InChIKeyFSCMPBVDHVPYGE-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.06
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluorobenzene-6-ide?
The IUPAC name of 1,2,3,4,5-pentafluorobenzene-6-ide (CID 23233864) is 1,2,3,4,5-pentafluorobenzene-6-ide.
What is the SMILES notation for 1,2,3,4,5-pentafluorobenzene-6-ide?
The canonical SMILES for 1,2,3,4,5-pentafluorobenzene-6-ide is Fc1[c-]c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluorobenzene-6-ide?
The InChIKey is FSCMPBVDHVPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F5/c7-2-1-3(8)5(10)6(11)4(2)9/q-1.
What are the key properties of 1,2,3,4,5-pentafluorobenzene-6-ide?
1,2,3,4,5-pentafluorobenzene-6-ide has a molecular weight of 167.06 g/mol, XLogP of 2.18, 0 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-pentafluorobenzene-6-ide is sourced from PubChem (CID 23233864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).