5,5-difluoro-2,8-dimethylnonane

C11H22F2 — CID 58574568

IUPAC5,5-difluoro-2,8-dimethylnonane
SMILESCC(C)CCC(F)(F)CCC(C)C
InChIInChI=1S/C11H22F2/c1-9(2)5-7-11(12,13)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeySRUNARUTANNKDD-UHFFFAOYSA-N
MW192.29 g/mol
LogP4.49
Rot. Bonds6

About 5,5-difluoro-2,8-dimethylnonane

5,5-difluoro-2,8-dimethylnonane (PubChem CID 58574568) has the molecular formula C11H22F2 and a molecular weight of 192.29 g/mol. Its IUPAC name is 5,5-difluoro-2,8-dimethylnonane.

Molecular Properties

Compound Name5,5-difluoro-2,8-dimethylnonane
PubChem CID58574568
Molecular FormulaC11H22F2
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Name5,5-difluoro-2,8-dimethylnonane
SMILESCC(C)CCC(F)(F)CCC(C)C
InChIInChI=1S/C11H22F2/c1-9(2)5-7-11(12,13)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeySRUNARUTANNKDD-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,8-dimethylnonane?
The IUPAC name of 5,5-difluoro-2,8-dimethylnonane (CID 58574568) is 5,5-difluoro-2,8-dimethylnonane.
What is the SMILES notation for 5,5-difluoro-2,8-dimethylnonane?
The canonical SMILES for 5,5-difluoro-2,8-dimethylnonane is CC(C)CCC(F)(F)CCC(C)C.
What is the InChIKey of 5,5-difluoro-2,8-dimethylnonane?
The InChIKey is SRUNARUTANNKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2/c1-9(2)5-7-11(12,13)8-6-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 5,5-difluoro-2,8-dimethylnonane?
5,5-difluoro-2,8-dimethylnonane has a molecular weight of 192.29 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,8-dimethylnonane is sourced from PubChem (CID 58574568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).