benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride

C12H13Cl6F — CID 88611959

IUPACbenzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.F.c1ccccc1
InChIInChI=1S/C6H6Cl6.C6H6.FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-4-6-5-3-1;/h1-6H;1-6H;1H
InChIKeyNFAZAHJKIMNZLB-UHFFFAOYSA-N
MW388.95 g/mol
LogP5.48
Rot. Bonds

About benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride

benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride (PubChem CID 88611959) has the molecular formula C12H13Cl6F and a molecular weight of 388.95 g/mol. Its IUPAC name is benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride.

Molecular Properties

Compound Namebenzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride
PubChem CID88611959
Molecular FormulaC12H13Cl6F
Molecular Weight388.95 g/mol
Exact Mass385.91
IUPAC Namebenzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.F.c1ccccc1
InChIInChI=1S/C6H6Cl6.C6H6.FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-4-6-5-3-1;/h1-6H;1-6H;1H
InChIKeyNFAZAHJKIMNZLB-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.95
LogP ≤ 55.48
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

Benzene, mixt. with 1,2-dichloroethane
CID 6453035
(l)-2-Chlorocyclohexyl](phenyl)selane
CID 86287465
(2-Chlorocyclohexyl)selanylbenzene
CID 13225755
trans-1-Chloro-2-phenylselanylcyclohexane
CID 13225756
(l)-2-Chlorocyclohexyl(phenyl)dichloroselane
CID 86287464
Benzene;chlorocyclohexane
CID 20402912
Benzene;1,1,2,2-tetrachloroethane
CID 23203518
Chlorocyclohexane;1,2-dichlorobenzene
CID 70586703
Diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane
CID 87623404
Chlorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
CID 88329021
Bromobenzene;1,2,3,4,5,6-hexachlorocyclohexane
CID 88523770
Fluorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
CID 88623119

Frequently Asked Questions

What is the IUPAC name of benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride?
The IUPAC name of benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride (CID 88611959) is benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride.
What is the SMILES notation for benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride?
The canonical SMILES for benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.F.c1ccccc1.
What is the InChIKey of benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride?
The InChIKey is NFAZAHJKIMNZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C6H6.FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-4-6-5-3-1;/h1-6H;1-6H;1H.
What are the key properties of benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride?
benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride has a molecular weight of 388.95 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2,3,4,5,6-hexachlorocyclohexane;hydrofluoride is sourced from PubChem (CID 88611959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).