argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane

C18H36Ar2F6 — CID 167697447

IUPACargon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane
SMILESCC.CC(C)(C)C(F)(F)F.CC(C)(C)CCCC(C)(C)C(F)(F)F.[Ar].[Ar]
InChIInChI=1S/C11H21F3.C5H9F3.C2H6.2Ar/c1-9(2,3)7-6-8-10(4,5)11(12,13)14;1-4(2,3)5(6,7)8;1-2;;/h6-8H2,1-5H3;1-3H3;1-2H3;;
InChIKeyXWJKFZQXISEYDC-UHFFFAOYSA-N
MW446.37 g/mol
LogP8.41
Rot. Bonds3

About argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane

argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane (PubChem CID 167697447) has the molecular formula C18H36Ar2F6 and a molecular weight of 446.37 g/mol. Its IUPAC name is argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Nameargon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane
PubChem CID167697447
Molecular FormulaC18H36Ar2F6
Molecular Weight446.37 g/mol
Exact Mass446.20
IUPAC Nameargon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane
SMILESCC.CC(C)(C)C(F)(F)F.CC(C)(C)CCCC(C)(C)C(F)(F)F.[Ar].[Ar]
InChIInChI=1S/C11H21F3.C5H9F3.C2H6.2Ar/c1-9(2,3)7-6-8-10(4,5)11(12,13)14;1-4(2,3)5(6,7)8;1-2;;/h6-8H2,1-5H3;1-3H3;1-2H3;;
InChIKeyXWJKFZQXISEYDC-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.37
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
ethane;2,2,6,6-tetramethylheptane;tritium monohydride
CID 158881033
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
8,8,8-trifluoro-7,7-dimethyloct-1-ene
CID 162603112
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
ethane;4,4,5,5-tetramethyl-2-(5,5,5-trifluoro-4,4-dimethylpentyl)-1,3,2-dioxaborolane
CID 143087872
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
1,1,1-trifluoro-2,10,10-trimethylundecane
CID 89223709

Frequently Asked Questions

What is the IUPAC name of argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane?
The IUPAC name of argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane (CID 167697447) is argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane.
What is the SMILES notation for argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane?
The canonical SMILES for argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane is CC.CC(C)(C)C(F)(F)F.CC(C)(C)CCCC(C)(C)C(F)(F)F.[Ar].[Ar].
What is the InChIKey of argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane?
The InChIKey is XWJKFZQXISEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3.C5H9F3.C2H6.2Ar/c1-9(2,3)7-6-8-10(4,5)11(12,13)14;1-4(2,3)5(6,7)8;1-2;;/h6-8H2,1-5H3;1-3H3;1-2H3;;.
What are the key properties of argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane?
argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane has a molecular weight of 446.37 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane is sourced from PubChem (CID 167697447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).