1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone

C9H13F2NO — CID 130637163

IUPAC1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCCC12CCC2
InChIInChI=1S/C9H13F2NO/c10-7(11)8(13)12-6-2-5-9(12)3-1-4-9/h7H,1-6H2
InChIKeyMUAGAAVZHUDJOI-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.80
Rot. Bonds1

About 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone

1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone (PubChem CID 130637163) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone
PubChem CID130637163
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCCC12CCC2
InChIInChI=1S/C9H13F2NO/c10-7(11)8(13)12-6-2-5-9(12)3-1-4-9/h7H,1-6H2
InChIKeyMUAGAAVZHUDJOI-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
2-amino-1-(4-azaspiro[2.4]heptan-4-yl)ethanone
CID 154535282
2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone
CID 10662063
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate
CID 170530279
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 142538557
2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 130681789
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone (CID 130637163) is 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone is O=C(C(F)F)N1CCCC12CCC2.
What is the InChIKey of 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone?
The InChIKey is MUAGAAVZHUDJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-7(11)8(13)12-6-2-5-9(12)3-1-4-9/h7H,1-6H2.
What are the key properties of 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone?
1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone has a molecular weight of 189.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[3.4]octan-5-yl)-2,2-difluoroethanone is sourced from PubChem (CID 130637163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).