(8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one

C13H14FNO — CID 125450830

IUPAC(8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one
SMILESO=C1NC[C@H](c2ccccc2F)C12CCC2
InChIInChI=1S/C13H14FNO/c14-11-5-2-1-4-9(11)10-8-15-12(16)13(10)6-3-7-13/h1-2,4-5,10H,3,6-8H2,(H,15,16)/t10-/m1/s1
InChIKeyRAAQVTMCNRWXHR-SNVBAGLBSA-N
MW219.26 g/mol
LogP2.21
Rot. Bonds1

About (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one

(8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one (PubChem CID 125450830) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one
PubChem CID125450830
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one
SMILESO=C1NC[C@H](c2ccccc2F)C12CCC2
InChIInChI=1S/C13H14FNO/c14-11-5-2-1-4-9(11)10-8-15-12(16)13(10)6-3-7-13/h1-2,4-5,10H,3,6-8H2,(H,15,16)/t10-/m1/s1
InChIKeyRAAQVTMCNRWXHR-SNVBAGLBSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile
CID 125453504
(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
CID 125450111
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
CID 125451516
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
3-(2-fluorophenyl)oxan-2-one
CID 121220239
3-(2-fluorophenyl)cyclobutan-1-one
CID 53403957
(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 9003891
4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
CID 79961733
5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79437502
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one?
The IUPAC name of (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one (CID 125450830) is (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one is O=C1NC[C@H](c2ccccc2F)C12CCC2.
What is the InChIKey of (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one?
The InChIKey is RAAQVTMCNRWXHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FNO/c14-11-5-2-1-4-9(11)10-8-15-12(16)13(10)6-3-7-13/h1-2,4-5,10H,3,6-8H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one?
(8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one has a molecular weight of 219.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(2-fluorophenyl)-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 125450830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).