1,1,2,2-tetrafluoro-4,4-dimethylhexane

C8H14F4 — CID 20771624

IUPAC1,1,2,2-tetrafluoro-4,4-dimethylhexane
SMILESCCC(C)(C)CC(F)(F)C(F)F
InChIInChI=1S/C8H14F4/c1-4-7(2,3)5-8(11,12)6(9)10/h6H,4-5H2,1-3H3
InChIKeyOUKZJPNDPUBHBY-UHFFFAOYSA-N
MW186.19 g/mol
LogP3.71
Rot. Bonds4

About 1,1,2,2-tetrafluoro-4,4-dimethylhexane

1,1,2,2-tetrafluoro-4,4-dimethylhexane (PubChem CID 20771624) has the molecular formula C8H14F4 and a molecular weight of 186.19 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-4,4-dimethylhexane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-4,4-dimethylhexane
PubChem CID20771624
Molecular FormulaC8H14F4
Molecular Weight186.19 g/mol
Exact Mass186.10
IUPAC Name1,1,2,2-tetrafluoro-4,4-dimethylhexane
SMILESCCC(C)(C)CC(F)(F)C(F)F
InChIInChI=1S/C8H14F4/c1-4-7(2,3)5-8(11,12)6(9)10/h6H,4-5H2,1-3H3
InChIKeyOUKZJPNDPUBHBY-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Related Compounds

1,1,1,2,2,3,3-Heptafluoro-4,4-bis(trifluoromethyl)hexane
CID 13813716
1-(Perfluoro-t-butyl)butane
CID 23236215
1,1,1,2,2,3,3-Heptafluoro-4,4-bis(trifluoromethyl)heptane
CID 13637734
1,1,1,2,3,3-Hexafluoro-4,4-dimethylpentane
CID 10727045
1,1,1,2,2,3,3,5,6,6-Decafluoro-4,4-bis(trifluoromethyl)hexane
CID 15717414
1,1,1,2,2,3,3,5,6,6,6-Undecafluoro-4,4-bis(trifluoromethyl)hexane
CID 15717416
1,1,1,5,5,5-Hexafluoro-3-methyl-3-(2,2,2-trifluoroethyl)pentane
CID 23272226
1,1,1,2,2,3,3-Heptafluoro-4,4-bis(trifluoromethyl)octane
CID 13813717
4-Ethyl-1,1,1,2,3,3-hexafluorohexane
CID 15576977
1,1,1,2,2,3,3,6-Octafluoro-4,4-bis(trifluoromethyl)hexane
CID 15717412
1,1,1,2,2-Pentafluoro-3-methyl-3-(trifluoromethyl)pentane
CID 17826657
1,1,1,2,2,3,3,4,4-Nonafluoro-5,6,6-trimethylheptane
CID 18711328

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-4,4-dimethylhexane?
The IUPAC name of 1,1,2,2-tetrafluoro-4,4-dimethylhexane (CID 20771624) is 1,1,2,2-tetrafluoro-4,4-dimethylhexane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-4,4-dimethylhexane?
The canonical SMILES for 1,1,2,2-tetrafluoro-4,4-dimethylhexane is CCC(C)(C)CC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-4,4-dimethylhexane?
The InChIKey is OUKZJPNDPUBHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4/c1-4-7(2,3)5-8(11,12)6(9)10/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,2,2-tetrafluoro-4,4-dimethylhexane?
1,1,2,2-tetrafluoro-4,4-dimethylhexane has a molecular weight of 186.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-4,4-dimethylhexane is sourced from PubChem (CID 20771624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).