8,8-difluoro-6-methyl-1,4-diazecane

C9H18F2N2 — CID 138668417

IUPAC8,8-difluoro-6-methyl-1,4-diazecane
SMILESCC1CNCCNCCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8-6-9(10,11)2-3-12-4-5-13-7-8/h8,12-13H,2-7H2,1H3
InChIKeyIHBGVSYSGDRCJZ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.23
Rot. Bonds

About 8,8-difluoro-6-methyl-1,4-diazecane

8,8-difluoro-6-methyl-1,4-diazecane (PubChem CID 138668417) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 8,8-difluoro-6-methyl-1,4-diazecane.

Molecular Properties

Compound Name8,8-difluoro-6-methyl-1,4-diazecane
PubChem CID138668417
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name8,8-difluoro-6-methyl-1,4-diazecane
SMILESCC1CNCCNCCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8-6-9(10,11)2-3-12-4-5-13-7-8/h8,12-13H,2-7H2,1H3
InChIKeyIHBGVSYSGDRCJZ-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-6-methyl-1,4-diazecane?
The IUPAC name of 8,8-difluoro-6-methyl-1,4-diazecane (CID 138668417) is 8,8-difluoro-6-methyl-1,4-diazecane.
What is the SMILES notation for 8,8-difluoro-6-methyl-1,4-diazecane?
The canonical SMILES for 8,8-difluoro-6-methyl-1,4-diazecane is CC1CNCCNCCC(F)(F)C1.
What is the InChIKey of 8,8-difluoro-6-methyl-1,4-diazecane?
The InChIKey is IHBGVSYSGDRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-8-6-9(10,11)2-3-12-4-5-13-7-8/h8,12-13H,2-7H2,1H3.
What are the key properties of 8,8-difluoro-6-methyl-1,4-diazecane?
8,8-difluoro-6-methyl-1,4-diazecane has a molecular weight of 192.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-6-methyl-1,4-diazecane is sourced from PubChem (CID 138668417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).