1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one

C11H17F2NO — CID 126793621

IUPAC1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one
SMILESCC(F)(F)CC(=O)N1CCCC2(CC2)C1
InChIInChI=1S/C11H17F2NO/c1-10(12,13)7-9(15)14-6-2-3-11(8-14)4-5-11/h2-8H2,1H3
InChIKeyHHTZARLKKLGKPB-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.43
Rot. Bonds2

About 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one

1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one (PubChem CID 126793621) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one.

Molecular Properties

Compound Name1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one
PubChem CID126793621
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one
SMILESCC(F)(F)CC(=O)N1CCCC2(CC2)C1
InChIInChI=1S/C11H17F2NO/c1-10(12,13)7-9(15)14-6-2-3-11(8-14)4-5-11/h2-8H2,1H3
InChIKeyHHTZARLKKLGKPB-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2,2-Trifluoro-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 57812999
3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
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1-(4,4-Difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394601
(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
CID 58394809
[(3S)-3-propan-2-ylpiperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 58395061
[(3S)-3-propan-2-ylpiperidin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanone
CID 58395194
(2,2-Difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone
CID 58395337
1-(4-Tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 58395384
(3-Tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone
CID 58395406
1-(4-Fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58516787

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one?
The IUPAC name of 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one (CID 126793621) is 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one.
What is the SMILES notation for 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one?
The canonical SMILES for 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one is CC(F)(F)CC(=O)N1CCCC2(CC2)C1.
What is the InChIKey of 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one?
The InChIKey is HHTZARLKKLGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-10(12,13)7-9(15)14-6-2-3-11(8-14)4-5-11/h2-8H2,1H3.
What are the key properties of 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one?
1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one has a molecular weight of 217.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one is sourced from PubChem (CID 126793621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).