1,1,1-trifluoro-4,4,6,6-tetramethyloctane

C12H23F3 — CID 23599860

IUPAC1,1,1-trifluoro-4,4,6,6-tetramethyloctane
SMILESCCC(C)(C)CC(C)(C)CCC(F)(F)F
InChIInChI=1S/C12H23F3/c1-6-10(2,3)9-11(4,5)7-8-12(13,14)15/h6-9H2,1-5H3
InChIKeyGAUQJOQWCNQKIQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP5.18
Rot. Bonds5

About 1,1,1-trifluoro-4,4,6,6-tetramethyloctane

1,1,1-trifluoro-4,4,6,6-tetramethyloctane (PubChem CID 23599860) has the molecular formula C12H23F3 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,4,6,6-tetramethyloctane.

Molecular Properties

Compound Name1,1,1-trifluoro-4,4,6,6-tetramethyloctane
PubChem CID23599860
Molecular FormulaC12H23F3
Molecular Weight224.31 g/mol
Exact Mass224.18
IUPAC Name1,1,1-trifluoro-4,4,6,6-tetramethyloctane
SMILESCCC(C)(C)CC(C)(C)CCC(F)(F)F
InChIInChI=1S/C12H23F3/c1-6-10(2,3)9-11(4,5)7-8-12(13,14)15/h6-9H2,1-5H3
InChIKeyGAUQJOQWCNQKIQ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.31
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4,4,6,6-tetramethyloctane?
The IUPAC name of 1,1,1-trifluoro-4,4,6,6-tetramethyloctane (CID 23599860) is 1,1,1-trifluoro-4,4,6,6-tetramethyloctane.
What is the SMILES notation for 1,1,1-trifluoro-4,4,6,6-tetramethyloctane?
The canonical SMILES for 1,1,1-trifluoro-4,4,6,6-tetramethyloctane is CCC(C)(C)CC(C)(C)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,4,6,6-tetramethyloctane?
The InChIKey is GAUQJOQWCNQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3/c1-6-10(2,3)9-11(4,5)7-8-12(13,14)15/h6-9H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-4,4,6,6-tetramethyloctane?
1,1,1-trifluoro-4,4,6,6-tetramethyloctane has a molecular weight of 224.31 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,4,6,6-tetramethyloctane is sourced from PubChem (CID 23599860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).