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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Related Compounds

1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
CID 75365424
1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene
CID 160774064
2-methyl-2-(2,3,4,5,6-pentafluorophenoxy)propan-1-amine
CID 104523383
(2,3,5,6-tetrafluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)borane
CID 177045759
methyl (2,3,5,6-tetrafluoro-4-methylphenyl) carbonate
CID 118176061
1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
CID 147057196
1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine
CID 15914785
1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
CID 22625262
1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
CID 3905536
1,2,3,4,5-pentafluoro-6-(3-methylpentan-3-yloxy)benzene
CID 126481065
ethane;1,2,3,4-tetrafluoro-5-methyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)peroxybenzene
CID 142023286

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).