1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene

C16H12F16 — CID 156740763

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene
SMILESCC.CC1(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.Fc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F10.C6F6.C2H6/c1-3(2)4(9,10)6(13,14)8(17,18)7(15,16)5(3,11)12;7-1-2(8)4(10)6(12)5(11)3(1)9;1-2/h1-2H3;;1-2H3
InChIKeyWGNQTLZPFAYDLD-UHFFFAOYSA-N
MW508.24 g/mol
LogP7.75
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene

1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene (PubChem CID 156740763) has the molecular formula C16H12F16 and a molecular weight of 508.24 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene
PubChem CID156740763
Molecular FormulaC16H12F16
Molecular Weight508.24 g/mol
Exact Mass508.07
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene
SMILESCC.CC1(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.Fc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F10.C6F6.C2H6/c1-3(2)4(9,10)6(13,14)8(17,18)7(15,16)5(3,11)12;7-1-2(8)4(10)6(12)5(11)3(1)9;1-2/h1-2H3;;1-2H3
InChIKeyWGNQTLZPFAYDLD-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.24
LogP ≤ 57.75
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 158548980
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
CID 68649915
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
2-bromo-1,1,2,3,3,4,4,5,6,7,8-undecafluoronaphthalene
CID 12521074
1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
CID 87665387
methyl-tris(2,3,4,5,6-pentafluorophenyl)silane
CID 635898
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859
1,1,2,2,3,3,4,4,5,6,7,8,9,10,11,12-hexadecafluorochrysene
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene (CID 156740763) is 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene is CC.CC1(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.Fc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene?
The InChIKey is WGNQTLZPFAYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10.C6F6.C2H6/c1-3(2)4(9,10)6(13,14)8(17,18)7(15,16)5(3,11)12;7-1-2(8)4(10)6(12)5(11)3(1)9;1-2/h1-2H3;;1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene?
1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene has a molecular weight of 508.24 g/mol, XLogP of 7.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene is sourced from PubChem (CID 156740763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).