1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene

C8H3Cl3F4O — CID 54011362

IUPAC1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene
SMILESCc1c(F)c(F)c(OC(Cl)(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H3Cl3F4O/c1-2-3(12)5(14)7(6(15)4(2)13)16-8(9,10)11/h1H3
InChIKeyKSPFNFFBVMSFHH-UHFFFAOYSA-N
MW297.46 g/mol
LogP4.26
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene

1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene (PubChem CID 54011362) has the molecular formula C8H3Cl3F4O and a molecular weight of 297.46 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene
PubChem CID54011362
Molecular FormulaC8H3Cl3F4O
Molecular Weight297.46 g/mol
Exact Mass295.92
IUPAC Name1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene
SMILESCc1c(F)c(F)c(OC(Cl)(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H3Cl3F4O/c1-2-3(12)5(14)7(6(15)4(2)13)16-8(9,10)11/h1H3
InChIKeyKSPFNFFBVMSFHH-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-methyl-6-(trichloromethoxy)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene (CID 54011362) is 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene is Cc1c(F)c(F)c(OC(Cl)(Cl)Cl)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene?
The InChIKey is KSPFNFFBVMSFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3F4O/c1-2-3(12)5(14)7(6(15)4(2)13)16-8(9,10)11/h1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene?
1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene has a molecular weight of 297.46 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene is sourced from PubChem (CID 54011362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).