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

C7Cl2F6 — CID 2782510

IUPAC1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene
SMILESFc1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl
InChIInChI=1S/C7Cl2F6/c8-2-4(10)1(7(13,14)15)5(11)3(9)6(2)12
InChIKeyGMAAQKFDAJMAFP-UHFFFAOYSA-N
MW268.97 g/mol
LogP4.43
Rot. Bonds

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

1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene (PubChem CID 2782510) has the molecular formula C7Cl2F6 and a molecular weight of 268.97 g/mol. Its IUPAC name is 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene
PubChem CID2782510
Molecular FormulaC7Cl2F6
Molecular Weight268.97 g/mol
Exact Mass267.93
IUPAC Name1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene
SMILESFc1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl
InChIInChI=1S/C7Cl2F6/c8-2-4(10)1(7(13,14)15)5(11)3(9)6(2)12
InChIKeyGMAAQKFDAJMAFP-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

Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-
CID 157026
3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride
CID 2778195
1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 2782486
1,2,3,4,5-Pentafluoro-6-(trichloromethyl)benzene
CID 2782621
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
1,3-Dichloro-5-(trifluoromethyl)benzene
CID 35361
1-(1-Chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
CID 12701532
1-Chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
CID 13416584
Hexafluorobenzylidene dichloride
CID 13416590
3,5-Dichloro-2,2',3',4,4',5',6,6'-octafluoro-1,1'-biphenyl
CID 71363843
1-Chloro-2,3,4,5-tetrafluoro-6-(trifluoromethyl)benzene
CID 228600
3,5-Dichloro-2,4,6-trifluoro-benzonitrile
CID 11593785

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene (CID 2782510) is 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene is Fc1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl.
What is the InChIKey of 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene?
The InChIKey is GMAAQKFDAJMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F6/c8-2-4(10)1(7(13,14)15)5(11)3(9)6(2)12.
What are the key properties of 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene?
1,3-dichloro-2,4,6-trifluoro-5-(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 1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 2782510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).