4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid

C10H16FNO2 — CID 152560175

IUPAC4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCCC2F)CC1
InChIInChI=1S/C10H16FNO2/c11-8-2-1-3-10(8)4-6-12(7-5-10)9(13)14/h8H,1-7H2,(H,13,14)
InChIKeyYPHYKOBACFFTNE-UHFFFAOYSA-N
MW201.24 g/mol
LogP2.27
Rot. Bonds

About 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid

4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 152560175) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID152560175
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCCC2F)CC1
InChIInChI=1S/C10H16FNO2/c11-8-2-1-3-10(8)4-6-12(7-5-10)9(13)14/h8H,1-7H2,(H,13,14)
InChIKeyYPHYKOBACFFTNE-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
2-(2-hydroxyethyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155024264
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
CID 119094489
4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 90970306
(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146500878
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-(bromomethyl)-4-fluoropiperidine-1-carboxylic acid
CID 161175898
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90725084

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid (CID 152560175) is 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CCCC2F)CC1.
What is the InChIKey of 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is YPHYKOBACFFTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-8-2-1-3-10(8)4-6-12(7-5-10)9(13)14/h8H,1-7H2,(H,13,14).
What are the key properties of 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid?
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 201.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 152560175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).