4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane

C9H16F2N2 — CID 176992843

IUPAC4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane
SMILESCN1CCC2(C1)CN(C)CC2(F)F
InChIInChI=1S/C9H16F2N2/c1-12-4-3-8(5-12)6-13(2)7-9(8,10)11/h3-7H2,1-2H3
InChIKeyMZDRVRCHMZCVCO-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.89
Rot. Bonds

About 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane

4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane (PubChem CID 176992843) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane
PubChem CID176992843
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane
SMILESCN1CCC2(C1)CN(C)CC2(F)F
InChIInChI=1S/C9H16F2N2/c1-12-4-3-8(5-12)6-13(2)7-9(8,10)11/h3-7H2,1-2H3
InChIKeyMZDRVRCHMZCVCO-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane (CID 176992843) is 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane is CN1CCC2(C1)CN(C)CC2(F)F.
What is the InChIKey of 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is MZDRVRCHMZCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-4-3-8(5-12)6-13(2)7-9(8,10)11/h3-7H2,1-2H3.
What are the key properties of 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane?
4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 190.24 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 176992843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).