2,2,3,3-tetrafluoro-5,5-dimethylhexane

C8H14F4 — CID 88592335

IUPAC2,2,3,3-tetrafluoro-5,5-dimethylhexane
SMILESCC(C)(C)CC(F)(F)C(C)(F)F
InChIInChI=1S/C8H14F4/c1-6(2,3)5-8(11,12)7(4,9)10/h5H2,1-4H3
InChIKeyYEYHWEBLHSKAEE-UHFFFAOYSA-N
MW186.19 g/mol
LogP3.71
Rot. Bonds2

About 2,2,3,3-tetrafluoro-5,5-dimethylhexane

2,2,3,3-tetrafluoro-5,5-dimethylhexane (PubChem CID 88592335) has the molecular formula C8H14F4 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-5,5-dimethylhexane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-5,5-dimethylhexane
PubChem CID88592335
Molecular FormulaC8H14F4
Molecular Weight186.19 g/mol
Exact Mass186.10
IUPAC Name2,2,3,3-tetrafluoro-5,5-dimethylhexane
SMILESCC(C)(C)CC(F)(F)C(C)(F)F
InChIInChI=1S/C8H14F4/c1-6(2,3)5-8(11,12)7(4,9)10/h5H2,1-4H3
InChIKeyYEYHWEBLHSKAEE-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-5,5-dimethylhexane?
The IUPAC name of 2,2,3,3-tetrafluoro-5,5-dimethylhexane (CID 88592335) is 2,2,3,3-tetrafluoro-5,5-dimethylhexane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-5,5-dimethylhexane?
The canonical SMILES for 2,2,3,3-tetrafluoro-5,5-dimethylhexane is CC(C)(C)CC(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-5,5-dimethylhexane?
The InChIKey is YEYHWEBLHSKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4/c1-6(2,3)5-8(11,12)7(4,9)10/h5H2,1-4H3.
What are the key properties of 2,2,3,3-tetrafluoro-5,5-dimethylhexane?
2,2,3,3-tetrafluoro-5,5-dimethylhexane has a molecular weight of 186.19 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-5,5-dimethylhexane is sourced from PubChem (CID 88592335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).