1,2,3,4,5-pentafluorobenzene

C6HF5 — CID 9696

IUPAC1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyWACNXHCZHTVBJM-UHFFFAOYSA-N
MW168.06 g/mol
LogP2.38
Rot. Bonds

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

1,2,3,4,5-pentafluorobenzene (PubChem CID 9696) has the molecular formula C6HF5 and a molecular weight of 168.06 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluorobenzene
PubChem CID9696
Molecular FormulaC6HF5
Molecular Weight168.06 g/mol
Exact Mass168.00
IUPAC Name1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyWACNXHCZHTVBJM-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.06
LogP ≤ 52.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluorobenzene?
The IUPAC name of 1,2,3,4,5-pentafluorobenzene (CID 9696) is 1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for 1,2,3,4,5-pentafluorobenzene is Fc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluorobenzene?
The InChIKey is WACNXHCZHTVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1,2,3,4,5-pentafluorobenzene?
1,2,3,4,5-pentafluorobenzene has a molecular weight of 168.06 g/mol, XLogP of 2.38, 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 is sourced from PubChem (CID 9696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).