3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride

C6H12Cl2F2N2 — CID 141287967

IUPAC3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride
SMILESCl.Cl.FC1(F)CNC12CCNC2
InChIInChI=1S/C6H10F2N2.2ClH/c7-6(8)4-10-5(6)1-2-9-3-5;;/h9-10H,1-4H2;2*1H
InChIKeyYYURGOXXHFXNDA-UHFFFAOYSA-N
MW221.08 g/mol
LogP0.80
Rot. Bonds

About 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride

3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride (PubChem CID 141287967) has the molecular formula C6H12Cl2F2N2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride.

Molecular Properties

Compound Name3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride
PubChem CID141287967
Molecular FormulaC6H12Cl2F2N2
Molecular Weight221.08 g/mol
Exact Mass220.03
IUPAC Name3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride
SMILESCl.Cl.FC1(F)CNC12CCNC2
InChIInChI=1S/C6H10F2N2.2ClH/c7-6(8)4-10-5(6)1-2-9-3-5;;/h9-10H,1-4H2;2*1H
InChIKeyYYURGOXXHFXNDA-UHFFFAOYSA-N
XLogP0.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride?
The IUPAC name of 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride (CID 141287967) is 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride.
What is the SMILES notation for 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride?
The canonical SMILES for 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride is Cl.Cl.FC1(F)CNC12CCNC2.
What is the InChIKey of 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride?
The InChIKey is YYURGOXXHFXNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2.2ClH/c7-6(8)4-10-5(6)1-2-9-3-5;;/h9-10H,1-4H2;2*1H.
What are the key properties of 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride?
3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride has a molecular weight of 221.08 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride is sourced from PubChem (CID 141287967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).