fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane

C12H11Cl6F — CID 88623119

IUPACfluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Fc1ccccc1
InChIInChI=1S/C6H6Cl6.C6H5F/c7-1-2(8)4(10)6(12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyWNZFYMXMZXKRKT-UHFFFAOYSA-N
MW386.94 g/mol
LogP5.47
Rot. Bonds

About fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane

fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane (PubChem CID 88623119) has the molecular formula C12H11Cl6F and a molecular weight of 386.94 g/mol. Its IUPAC name is fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane.

Molecular Properties

Compound Namefluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
PubChem CID88623119
Molecular FormulaC12H11Cl6F
Molecular Weight386.94 g/mol
Exact Mass383.90
IUPAC Namefluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Fc1ccccc1
InChIInChI=1S/C6H6Cl6.C6H5F/c7-1-2(8)4(10)6(12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyWNZFYMXMZXKRKT-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.94
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chlorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
CID 88329021
Benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride
CID 88611959
1,2,3,4,5,6-Hexachlorocyclohexane;phenylphosphane
CID 88636119
1,2-Dichloroethane;1,2-difluorobenzene
CID 118129670
1,2-Dichloroethane;1,4-difluorobenzene
CID 118129672
1-Chlorobutane;fluorobenzene
CID 164181377
Benzene;1,2,3,4,5,6-hexachlorocyclohexane;hexahydrochloride
CID 172693795
2,3,4,5,6-Pentachlorocyclohexa-2,4-diene-1-thione;1,2,3-trifluorobenzene
CID 174787444

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane?
The IUPAC name of fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane (CID 88623119) is fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane.
What is the SMILES notation for fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane?
The canonical SMILES for fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Fc1ccccc1.
What is the InChIKey of fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane?
The InChIKey is WNZFYMXMZXKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C6H5F/c7-1-2(8)4(10)6(12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-6H;1-5H.
What are the key properties of fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane?
fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane has a molecular weight of 386.94 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane is sourced from PubChem (CID 88623119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).