1,1-difluoro-4,8-dimethylnonane

C11H22F2 — CID 86217087

IUPAC1,1-difluoro-4,8-dimethylnonane
SMILESCC(C)CCCC(C)CCC(F)F
InChIInChI=1S/C11H22F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-11H,4-8H2,1-3H3
InChIKeyIOPQRLZLGQCOSW-UHFFFAOYSA-N
MW192.29 g/mol
LogP4.49
Rot. Bonds7

About 1,1-difluoro-4,8-dimethylnonane

1,1-difluoro-4,8-dimethylnonane (PubChem CID 86217087) has the molecular formula C11H22F2 and a molecular weight of 192.29 g/mol. Its IUPAC name is 1,1-difluoro-4,8-dimethylnonane.

Molecular Properties

Compound Name1,1-difluoro-4,8-dimethylnonane
PubChem CID86217087
Molecular FormulaC11H22F2
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Name1,1-difluoro-4,8-dimethylnonane
SMILESCC(C)CCCC(C)CCC(F)F
InChIInChI=1S/C11H22F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-11H,4-8H2,1-3H3
InChIKeyIOPQRLZLGQCOSW-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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 1,1-difluoro-4,8-dimethylnonane?
The IUPAC name of 1,1-difluoro-4,8-dimethylnonane (CID 86217087) is 1,1-difluoro-4,8-dimethylnonane.
What is the SMILES notation for 1,1-difluoro-4,8-dimethylnonane?
The canonical SMILES for 1,1-difluoro-4,8-dimethylnonane is CC(C)CCCC(C)CCC(F)F.
What is the InChIKey of 1,1-difluoro-4,8-dimethylnonane?
The InChIKey is IOPQRLZLGQCOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-11H,4-8H2,1-3H3.
What are the key properties of 1,1-difluoro-4,8-dimethylnonane?
1,1-difluoro-4,8-dimethylnonane has a molecular weight of 192.29 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,8-dimethylnonane is sourced from PubChem (CID 86217087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).