1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane

C13H24F4 — CID 122663944

IUPAC1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane
SMILESCCC(C)(C)CCC(C)(F)C(C)(C)C(F)(F)F
InChIInChI=1S/C13H24F4/c1-7-10(2,3)8-9-12(6,14)11(4,5)13(15,16)17/h7-9H2,1-6H3
InChIKeyWUYRUSWTHWJGTO-UHFFFAOYSA-N
MW256.33 g/mol
LogP5.52
Rot. Bonds5

About 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane

1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane (PubChem CID 122663944) has the molecular formula C13H24F4 and a molecular weight of 256.33 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane
PubChem CID122663944
Molecular FormulaC13H24F4
Molecular Weight256.33 g/mol
Exact Mass256.18
IUPAC Name1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane
SMILESCCC(C)(C)CCC(C)(F)C(C)(C)C(F)(F)F
InChIInChI=1S/C13H24F4/c1-7-10(2,3)8-9-12(6,14)11(4,5)13(15,16)17/h7-9H2,1-6H3
InChIKeyWUYRUSWTHWJGTO-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.33
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 19776036
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CID 19889165
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane?
The IUPAC name of 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane (CID 122663944) is 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane?
The canonical SMILES for 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane is CCC(C)(C)CCC(C)(F)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane?
The InChIKey is WUYRUSWTHWJGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F4/c1-7-10(2,3)8-9-12(6,14)11(4,5)13(15,16)17/h7-9H2,1-6H3.
What are the key properties of 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane?
1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane has a molecular weight of 256.33 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane is sourced from PubChem (CID 122663944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).