8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride

C9H16ClF2N — CID 126843941

IUPAC8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride
SMILESCl.FC1(F)CCC2(CCCN2)CC1
InChIInChI=1S/C9H15F2N.ClH/c10-9(11)5-3-8(4-6-9)2-1-7-12-8;/h12H,1-7H2;1H
InChIKeyGHVXUPUPTDACGN-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.74
Rot. Bonds

About 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride

8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride (PubChem CID 126843941) has the molecular formula C9H16ClF2N and a molecular weight of 211.68 g/mol. Its IUPAC name is 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride
PubChem CID126843941
Molecular FormulaC9H16ClF2N
Molecular Weight211.68 g/mol
Exact Mass211.09
IUPAC Name8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride
SMILESCl.FC1(F)CCC2(CCCN2)CC1
InChIInChI=1S/C9H15F2N.ClH/c10-9(11)5-3-8(4-6-9)2-1-7-12-8;/h12H,1-7H2;1H
InChIKeyGHVXUPUPTDACGN-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride (CID 126843941) is 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride is Cl.FC1(F)CCC2(CCCN2)CC1.
What is the InChIKey of 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride?
The InChIKey is GHVXUPUPTDACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.ClH/c10-9(11)5-3-8(4-6-9)2-1-7-12-8;/h12H,1-7H2;1H.
What are the key properties of 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride?
8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride has a molecular weight of 211.68 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 126843941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).