1,3-difluoro-2,4,4,5-tetramethyloctane

C12H24F2 — CID 20750466

IUPAC1,3-difluoro-2,4,4,5-tetramethyloctane
SMILESCCCC(C)C(C)(C)C(F)C(C)CF
InChIInChI=1S/C12H24F2/c1-6-7-10(3)12(4,5)11(14)9(2)8-13/h9-11H,6-8H2,1-5H3
InChIKeyAYMPZFPXZYIWRT-UHFFFAOYSA-N
MW206.32 g/mol
LogP4.39
Rot. Bonds6

About 1,3-difluoro-2,4,4,5-tetramethyloctane

1,3-difluoro-2,4,4,5-tetramethyloctane (PubChem CID 20750466) has the molecular formula C12H24F2 and a molecular weight of 206.32 g/mol. Its IUPAC name is 1,3-difluoro-2,4,4,5-tetramethyloctane.

Molecular Properties

Compound Name1,3-difluoro-2,4,4,5-tetramethyloctane
PubChem CID20750466
Molecular FormulaC12H24F2
Molecular Weight206.32 g/mol
Exact Mass206.18
IUPAC Name1,3-difluoro-2,4,4,5-tetramethyloctane
SMILESCCCC(C)C(C)(C)C(F)C(C)CF
InChIInChI=1S/C12H24F2/c1-6-7-10(3)12(4,5)11(14)9(2)8-13/h9-11H,6-8H2,1-5H3
InChIKeyAYMPZFPXZYIWRT-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,4,4,5-tetramethyloctane?
The IUPAC name of 1,3-difluoro-2,4,4,5-tetramethyloctane (CID 20750466) is 1,3-difluoro-2,4,4,5-tetramethyloctane.
What is the SMILES notation for 1,3-difluoro-2,4,4,5-tetramethyloctane?
The canonical SMILES for 1,3-difluoro-2,4,4,5-tetramethyloctane is CCCC(C)C(C)(C)C(F)C(C)CF.
What is the InChIKey of 1,3-difluoro-2,4,4,5-tetramethyloctane?
The InChIKey is AYMPZFPXZYIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2/c1-6-7-10(3)12(4,5)11(14)9(2)8-13/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,3-difluoro-2,4,4,5-tetramethyloctane?
1,3-difluoro-2,4,4,5-tetramethyloctane has a molecular weight of 206.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,4,4,5-tetramethyloctane is sourced from PubChem (CID 20750466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).