4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride

C8H14ClF2N — CID 105451193

IUPAC4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride
SMILESCl.FC1(F)CNCC12CCCC2
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)6-11-5-7(8)3-1-2-4-7;/h11H,1-6H2;1H
InChIKeyZWVHRZKXYRYMGG-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.21
Rot. Bonds

About 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride

4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride (PubChem CID 105451193) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride
PubChem CID105451193
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride
SMILESCl.FC1(F)CNCC12CCCC2
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)6-11-5-7(8)3-1-2-4-7;/h11H,1-6H2;1H
InChIKeyZWVHRZKXYRYMGG-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride (CID 105451193) is 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride is Cl.FC1(F)CNCC12CCCC2.
What is the InChIKey of 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride?
The InChIKey is ZWVHRZKXYRYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c9-8(10)6-11-5-7(8)3-1-2-4-7;/h11H,1-6H2;1H.
What are the key properties of 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride?
4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-azaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 105451193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).