3,3-difluoro-2,6-dimethylheptane

C9H18F2 — CID 59554053

IUPAC3,3-difluoro-2,6-dimethylheptane
SMILESCC(C)CCC(F)(F)C(C)C
InChIInChI=1S/C9H18F2/c1-7(2)5-6-9(10,11)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyGELJMYYDLMJIRD-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.71
Rot. Bonds4

About 3,3-difluoro-2,6-dimethylheptane

3,3-difluoro-2,6-dimethylheptane (PubChem CID 59554053) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 3,3-difluoro-2,6-dimethylheptane.

Molecular Properties

Compound Name3,3-difluoro-2,6-dimethylheptane
PubChem CID59554053
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name3,3-difluoro-2,6-dimethylheptane
SMILESCC(C)CCC(F)(F)C(C)C
InChIInChI=1S/C9H18F2/c1-7(2)5-6-9(10,11)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyGELJMYYDLMJIRD-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,6-dimethylheptane?
The IUPAC name of 3,3-difluoro-2,6-dimethylheptane (CID 59554053) is 3,3-difluoro-2,6-dimethylheptane.
What is the SMILES notation for 3,3-difluoro-2,6-dimethylheptane?
The canonical SMILES for 3,3-difluoro-2,6-dimethylheptane is CC(C)CCC(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-2,6-dimethylheptane?
The InChIKey is GELJMYYDLMJIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2/c1-7(2)5-6-9(10,11)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3-difluoro-2,6-dimethylheptane?
3,3-difluoro-2,6-dimethylheptane has a molecular weight of 164.24 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 3,3-difluoro-2,6-dimethylheptane is sourced from PubChem (CID 59554053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).