1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane

C19H38F6 — CID 54245833

IUPAC1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C6H14.C5H6F6/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3(2,4(6,7)8)5(9,10)11/h3-8H2,1-2H3;3-6H2,1-2H3;1-2H3
InChIKeyQTEVWDAKFUHYSZ-UHFFFAOYSA-N
MW380.50 g/mol
LogP9.09
Rot. Bonds8

About 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane

1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane (PubChem CID 54245833) has the molecular formula C19H38F6 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
PubChem CID54245833
Molecular FormulaC19H38F6
Molecular Weight380.50 g/mol
Exact Mass380.29
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C6H14.C5H6F6/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3(2,4(6,7)8)5(9,10)11/h3-8H2,1-2H3;3-6H2,1-2H3;1-2H3
InChIKeyQTEVWDAKFUHYSZ-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;heptane
CID 144531055
heptane;nickel
CID 172769107
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
CID 151241914
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
1,1,1,2,2-pentafluorononadecane
CID 98452406
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
henoctacontane
CID 22086342
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane (CID 54245833) is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane is CC(C)(C(F)(F)F)C(F)(F)F.CCCCCC.CCCCCCCC.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane?
The InChIKey is QTEVWDAKFUHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14.C5H6F6/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3(2,4(6,7)8)5(9,10)11/h3-8H2,1-2H3;3-6H2,1-2H3;1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane?
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane has a molecular weight of 380.50 g/mol, XLogP of 9.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane is sourced from PubChem (CID 54245833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).