1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane

C8H6Cl2F8 — CID 141455516

IUPAC1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
SMILESCC1(F)C(F)(F)C(F)(F)C(C)(F)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C8H6Cl2F8/c1-3(11)5(9,13)6(10,14)4(2,12)8(17,18)7(3,15)16/h1-2H3
InChIKeyHDVZEMVHZYFWTF-UHFFFAOYSA-N
MW325.03 g/mol
LogP4.54
Rot. Bonds

About 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane

1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane (PubChem CID 141455516) has the molecular formula C8H6Cl2F8 and a molecular weight of 325.03 g/mol. Its IUPAC name is 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane.

Molecular Properties

Compound Name1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
PubChem CID141455516
Molecular FormulaC8H6Cl2F8
Molecular Weight325.03 g/mol
Exact Mass323.97
IUPAC Name1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
SMILESCC1(F)C(F)(F)C(F)(F)C(C)(F)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C8H6Cl2F8/c1-3(11)5(9,13)6(10,14)4(2,12)8(17,18)7(3,15)16/h1-2H3
InChIKeyHDVZEMVHZYFWTF-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
CID 21279835
1,1,2,2,3,4,4,5-octafluoro-3,5-dimethylcyclopentane
CID 89333717
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
(4aR,8S,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-methylnaphthalene
CID 98117240
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylcyclohexan-1-ol
CID 162567259
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene
CID 59941574
2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane
CID 88700104
1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane
CID 59710679
2,2,3,4,4,5-hexafluoro-3,5-dimethyloxolane
CID 118020327

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane?
The IUPAC name of 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane (CID 141455516) is 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane.
What is the SMILES notation for 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane?
The canonical SMILES for 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane is CC1(F)C(F)(F)C(F)(F)C(C)(F)C(F)(Cl)C1(F)Cl.
What is the InChIKey of 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane?
The InChIKey is HDVZEMVHZYFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F8/c1-3(11)5(9,13)6(10,14)4(2,12)8(17,18)7(3,15)16/h1-2H3.
What are the key properties of 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane?
1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane has a molecular weight of 325.03 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane is sourced from PubChem (CID 141455516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).