3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride

C9H16ClF2N — CID 138987742

IUPAC3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride
SMILESCl.FC1(F)CCC2(CCNCC2)C1
InChIInChI=1S/C9H15F2N.ClH/c10-9(11)2-1-8(7-9)3-5-12-6-4-8;/h12H,1-7H2;1H
InChIKeyFZFUIJIYPISIHJ-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.60
Rot. Bonds

About 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride

3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride (PubChem CID 138987742) has the molecular formula C9H16ClF2N and a molecular weight of 211.68 g/mol. Its IUPAC name is 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride
PubChem CID138987742
Molecular FormulaC9H16ClF2N
Molecular Weight211.68 g/mol
Exact Mass211.09
IUPAC Name3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride
SMILESCl.FC1(F)CCC2(CCNCC2)C1
InChIInChI=1S/C9H15F2N.ClH/c10-9(11)2-1-8(7-9)3-5-12-6-4-8;/h12H,1-7H2;1H
InChIKeyFZFUIJIYPISIHJ-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride (CID 138987742) is 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride is Cl.FC1(F)CCC2(CCNCC2)C1.
What is the InChIKey of 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride?
The InChIKey is FZFUIJIYPISIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.ClH/c10-9(11)2-1-8(7-9)3-5-12-6-4-8;/h12H,1-7H2;1H.
What are the key properties of 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride?
3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride has a molecular weight of 211.68 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 138987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).