1,2,3,4-tetrafluorobenzene

C6H2F4 — CID 11084

IUPAC1,2,3,4-tetrafluorobenzene
SMILESFc1ccc(F)c(F)c1F
InChIInChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeySOZFIIXUNAKEJP-UHFFFAOYSA-N
MW150.07 g/mol
LogP2.24
Rot. Bonds

About 1,2,3,4-tetrafluorobenzene

1,2,3,4-tetrafluorobenzene (PubChem CID 11084) has the molecular formula C6H2F4 and a molecular weight of 150.07 g/mol. Its IUPAC name is 1,2,3,4-tetrafluorobenzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluorobenzene
PubChem CID11084
Molecular FormulaC6H2F4
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name1,2,3,4-tetrafluorobenzene
SMILESFc1ccc(F)c(F)c1F
InChIInChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeySOZFIIXUNAKEJP-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 52.24
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-tetrafluorobenzene?
The IUPAC name of 1,2,3,4-tetrafluorobenzene (CID 11084) is 1,2,3,4-tetrafluorobenzene.
What is the SMILES notation for 1,2,3,4-tetrafluorobenzene?
The canonical SMILES for 1,2,3,4-tetrafluorobenzene is Fc1ccc(F)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrafluorobenzene?
The InChIKey is SOZFIIXUNAKEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of 1,2,3,4-tetrafluorobenzene?
1,2,3,4-tetrafluorobenzene has a molecular weight of 150.07 g/mol, XLogP of 2.24, 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-tetrafluorobenzene is sourced from PubChem (CID 11084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).