1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene

C7Cl2F6 — CID 21183250

IUPAC1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(Cl)c(Cl)c(C(F)(F)F)c1F
InChIInChI=1S/C7Cl2F6/c8-2-1(7(13,14)15)4(10)6(12)5(11)3(2)9
InChIKeyZEASMWUWJCKJGX-UHFFFAOYSA-N
MW268.97 g/mol
LogP4.43
Rot. Bonds

About 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene

1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene (PubChem CID 21183250) has the molecular formula C7Cl2F6 and a molecular weight of 268.97 g/mol. Its IUPAC name is 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene
PubChem CID21183250
Molecular FormulaC7Cl2F6
Molecular Weight268.97 g/mol
Exact Mass267.93
IUPAC Name1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(Cl)c(Cl)c(C(F)(F)F)c1F
InChIInChI=1S/C7Cl2F6/c8-2-1(7(13,14)15)4(10)6(12)5(11)3(2)9
InChIKeyZEASMWUWJCKJGX-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.97
LogP ≤ 54.43
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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Related Compounds

3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride
CID 2778195
3,5-Dichloro-2,4,6-trifluorobenzotrifluoride
CID 2782510
1-Chloro-2,3,4,5-tetrafluoro-6-(trifluoromethyl)benzene
CID 228600
1,2,3,4,5-Pentachloro-6-(trifluoromethyl)benzene
CID 14434854
2,4,6-Trichloropentafluorotoluene
CID 86037738
2,5-Bis(trifluoromethyl)-3,4,6-trifluorochlorobenzene
CID 13723087
1,3-Dichloro-2,4,5-trifluoro-6-(trifluoromethyl)benzene
CID 71406765
3,4-Dichloro-2,5,6-trifluorobenzotrifluoride
CID 85896700
Heptafluoro-a-chlorostyrene
CID 129669934
4-(Chlorodifluoromethyl)chlorotetrafluorobenzene
CID 129801456
Dichlorohexafluorostyrene
CID 129888266
1-Chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene
CID 13031267

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene (CID 21183250) is 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene is Fc1c(F)c(Cl)c(Cl)c(C(F)(F)F)c1F.
What is the InChIKey of 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene?
The InChIKey is ZEASMWUWJCKJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F6/c8-2-1(7(13,14)15)4(10)6(12)5(11)3(2)9.
What are the key properties of 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene?
1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene has a molecular weight of 268.97 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,4,5-trifluoro-6-(trifluoromethyl)benzene is sourced from PubChem (CID 21183250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).