1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane

C6H8F6 — CID 12603387

IUPAC1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane
SMILESCC(C)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-4(2,6(10,11)12)3-5(7,8)9/h3H2,1-2H3
InChIKeyTXLBPWMOLGLKFY-UHFFFAOYSA-N
MW194.12 g/mol
LogP3.53
Rot. Bonds1

About 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane

1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane (PubChem CID 12603387) has the molecular formula C6H8F6 and a molecular weight of 194.12 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane
PubChem CID12603387
Molecular FormulaC6H8F6
Molecular Weight194.12 g/mol
Exact Mass194.05
IUPAC Name1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane
SMILESCC(C)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-4(2,6(10,11)12)3-5(7,8)9/h3H2,1-2H3
InChIKeyTXLBPWMOLGLKFY-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane (CID 12603387) is 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane is CC(C)(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane?
The InChIKey is TXLBPWMOLGLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6/c1-4(2,6(10,11)12)3-5(7,8)9/h3H2,1-2H3.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane?
1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane has a molecular weight of 194.12 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2,2-dimethylbutane is sourced from PubChem (CID 12603387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).