1,2,4,5-tetrafluoro-3,6-dimethylbenzene

C16H12F8 — CID 160870042

IUPAC1,2,4,5-tetrafluoro-3,6-dimethylbenzene
SMILESCc1c(F)c(F)c(C)c(F)c1F.Cc1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/2C8H6F4/c2*1-3-5(9)7(11)4(2)8(12)6(3)10/h2*1-2H3
InChIKeySLQFPFSNTXRTCD-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.72
Rot. Bonds

About 1,2,4,5-tetrafluoro-3,6-dimethylbenzene

1,2,4,5-tetrafluoro-3,6-dimethylbenzene (PubChem CID 160870042) has the molecular formula C16H12F8 and a molecular weight of 356.26 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-dimethylbenzene
PubChem CID160870042
Molecular FormulaC16H12F8
Molecular Weight356.26 g/mol
Exact Mass356.08
IUPAC Name1,2,4,5-tetrafluoro-3,6-dimethylbenzene
SMILESCc1c(F)c(F)c(C)c(F)c1F.Cc1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/2C8H6F4/c2*1-3-5(9)7(11)4(2)8(12)6(3)10/h2*1-2H3
InChIKeySLQFPFSNTXRTCD-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-dimethylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-dimethylbenzene (CID 160870042) is 1,2,4,5-tetrafluoro-3,6-dimethylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-dimethylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-dimethylbenzene is Cc1c(F)c(F)c(C)c(F)c1F.Cc1c(F)c(F)c(C)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-dimethylbenzene?
The InChIKey is SLQFPFSNTXRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6F4/c2*1-3-5(9)7(11)4(2)8(12)6(3)10/h2*1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-dimethylbenzene?
1,2,4,5-tetrafluoro-3,6-dimethylbenzene has a molecular weight of 356.26 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-dimethylbenzene is sourced from PubChem (CID 160870042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).