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

C8H6F4 — CID 13086351

IUPAC1,2,3,5-tetrafluoro-4,6-dimethylbenzene
SMILESCc1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C8H6F4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
InChIKeyWYUGLRQQBXTSNA-UHFFFAOYSA-N
MW178.13 g/mol
LogP2.86
Rot. Bonds

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

1,2,3,5-tetrafluoro-4,6-dimethylbenzene (PubChem CID 13086351) has the molecular formula C8H6F4 and a molecular weight of 178.13 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4,6-dimethylbenzene
PubChem CID13086351
Molecular FormulaC8H6F4
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC Name1,2,3,5-tetrafluoro-4,6-dimethylbenzene
SMILESCc1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C8H6F4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
InChIKeyWYUGLRQQBXTSNA-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 52.86
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 1,2,3,5-tetrafluoro-4,6-dimethylbenzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4,6-dimethylbenzene (CID 13086351) is 1,2,3,5-tetrafluoro-4,6-dimethylbenzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4,6-dimethylbenzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4,6-dimethylbenzene is Cc1c(F)c(C)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4,6-dimethylbenzene?
The InChIKey is WYUGLRQQBXTSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3.
What are the key properties of 1,2,3,5-tetrafluoro-4,6-dimethylbenzene?
1,2,3,5-tetrafluoro-4,6-dimethylbenzene has a molecular weight of 178.13 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4,6-dimethylbenzene is sourced from PubChem (CID 13086351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).