4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride

C7H14ClFN2 — CID 115015794

IUPAC4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.FC1CCNC12CCNC2
InChIInChI=1S/C7H13FN2.ClH/c8-6-1-3-10-7(6)2-4-9-5-7;/h6,9-10H,1-5H2;1H
InChIKeyCPTLJRWAFRGIEI-UHFFFAOYSA-N
MW180.65 g/mol
LogP0.47
Rot. Bonds

About 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride

4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 115015794) has the molecular formula C7H14ClFN2 and a molecular weight of 180.65 g/mol. Its IUPAC name is 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID115015794
Molecular FormulaC7H14ClFN2
Molecular Weight180.65 g/mol
Exact Mass180.08
IUPAC Name4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.FC1CCNC12CCNC2
InChIInChI=1S/C7H13FN2.ClH/c8-6-1-3-10-7(6)2-4-9-5-7;/h6,9-10H,1-5H2;1H
InChIKeyCPTLJRWAFRGIEI-UHFFFAOYSA-N
XLogP0.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.65
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-azaspiro[2.4]heptane;hydrochloride
CID 84716465
2,6-diazaspiro[4.5]decan-10-ol
CID 115012188
9-fluoro-2,6-diazaspiro[4.5]decane
CID 115012372
(5S)-4,4,5-trifluoroazepane
CID 124556119
8-fluoro-2-azaspiro[4.5]decane
CID 105430719
(4S)-3,3,4-trifluoroazepane;hydrochloride
CID 171991664
10-fluoro-2-thia-6-azaspiro[4.5]decane
CID 115014559
4,7-diazaspiro[2.5]octan-2-ylphosphane
CID 155319775
4-fluoro-1-azaspiro[5.5]undecane;hydrochloride
CID 115025639
10-fluoro-7-methyl-2,7-diazaspiro[4.5]decane
CID 105435236
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
8-fluoro-6-azaspiro[2.5]octane
CID 84717106

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride (CID 115015794) is 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride is Cl.FC1CCNC12CCNC2.
What is the InChIKey of 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is CPTLJRWAFRGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2.ClH/c8-6-1-3-10-7(6)2-4-9-5-7;/h6,9-10H,1-5H2;1H.
What are the key properties of 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride?
4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 180.65 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 115015794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).