1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene

C8Cl6F4 — CID 631627

IUPAC1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene
SMILESFc1c(F)c(C(Cl)(Cl)Cl)c(F)c(C(Cl)(Cl)Cl)c1F
InChIInChI=1S/C8Cl6F4/c9-7(10,11)1-3(15)2(8(12,13)14)5(17)6(18)4(1)16
InChIKeySBLQURQEIOXENX-UHFFFAOYSA-N
MW384.80 g/mol
LogP5.90
Rot. Bonds

About 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene

1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene (PubChem CID 631627) has the molecular formula C8Cl6F4 and a molecular weight of 384.80 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene
PubChem CID631627
Molecular FormulaC8Cl6F4
Molecular Weight384.80 g/mol
Exact Mass381.81
IUPAC Name1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene
SMILESFc1c(F)c(C(Cl)(Cl)Cl)c(F)c(C(Cl)(Cl)Cl)c1F
InChIInChI=1S/C8Cl6F4/c9-7(10,11)1-3(15)2(8(12,13)14)5(17)6(18)4(1)16
InChIKeySBLQURQEIOXENX-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.80
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
CID 13416585
1,2,3,4,5-Pentafluoro-6-(trichloromethyl)benzene
CID 2782621
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
1,4-Bis(trichloromethyl)tetrafluorobenzene
CID 631628
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
1-(Dichloromethyl)-2,3,4,5,6-pentafluorobenzene
CID 12701528
1,4-Bis(Chlorodifluoromethyl)tetrafluorobenzene
CID 24851311
1,3,5-Tris(chloromethyl)-2,4,6-trifluorobenzene
CID 139197978
Benzene, 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluoro-
CID 23272706
1-(1-Chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene
CID 71363141

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene (CID 631627) is 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene is Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(C(Cl)(Cl)Cl)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene?
The InChIKey is SBLQURQEIOXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl6F4/c9-7(10,11)1-3(15)2(8(12,13)14)5(17)6(18)4(1)16.
What are the key properties of 1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene?
1,2,3,5-tetrafluoro-4,6-bis(trichloromethyl)benzene has a molecular weight of 384.80 g/mol, XLogP of 5.90, 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-bis(trichloromethyl)benzene is sourced from PubChem (CID 631627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).