1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone

C15H17BrFNO — CID 116573221

IUPAC1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1F)C1CC12CCNCC2
InChIInChI=1S/C15H17BrFNO/c16-11-2-1-10(13(17)8-11)7-14(19)12-9-15(12)3-5-18-6-4-15/h1-2,8,12,18H,3-7,9H2
InChIKeySACSPFPCDNIZGV-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.09
Rot. Bonds3

About 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone

1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone (PubChem CID 116573221) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
PubChem CID116573221
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1F)C1CC12CCNCC2
InChIInChI=1S/C15H17BrFNO/c16-11-2-1-10(13(17)8-11)7-14(19)12-9-15(12)3-5-18-6-4-15/h1-2,8,12,18H,3-7,9H2
InChIKeySACSPFPCDNIZGV-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-azaspiro[2.5]octan-2-yl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622121
2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107186821
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215
1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
CID 159609611
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208
4-[(5-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178564
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116598573
4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid
CID 150033708
1-[4-(aminomethyl)cyclohexyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116592499

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone (CID 116573221) is 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone is O=C(Cc1ccc(Br)cc1F)C1CC12CCNCC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone?
The InChIKey is SACSPFPCDNIZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c16-11-2-1-10(13(17)8-11)7-14(19)12-9-15(12)3-5-18-6-4-15/h1-2,8,12,18H,3-7,9H2.
What are the key properties of 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone?
1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone has a molecular weight of 326.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 116573221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).