1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane

C8H12F6 — CID 58241625

IUPAC1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane
SMILESCC(C)(C(F)(F)F)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-5(2,7(9,10)11)6(3,4)8(12,13)14/h1-4H3
InChIKeyKSOXAVACVUYOQW-UHFFFAOYSA-N
MW222.17 g/mol
LogP4.16
Rot. Bonds1

About 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane

1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane (PubChem CID 58241625) has the molecular formula C8H12F6 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane
PubChem CID58241625
Molecular FormulaC8H12F6
Molecular Weight222.17 g/mol
Exact Mass222.08
IUPAC Name1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane
SMILESCC(C)(C(F)(F)F)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-5(2,7(9,10)11)6(3,4)8(12,13)14/h1-4H3
InChIKeyKSOXAVACVUYOQW-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 54.16
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-2,2,3,3-tetramethylbutane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane (CID 58241625) is 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane is CC(C)(C(F)(F)F)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane?
The InChIKey is KSOXAVACVUYOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6/c1-5(2,7(9,10)11)6(3,4)8(12,13)14/h1-4H3.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane?
1,1,1,4,4,4-hexafluoro-2,2,3,3-tetramethylbutane has a molecular weight of 222.17 g/mol, XLogP of 4.16, 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-2,2,3,3-tetramethylbutane is sourced from PubChem (CID 58241625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).