1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone

C8H11F2NO — CID 174315535

IUPAC1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone
SMILESCC(=O)N1CCC2(C1)CC2(F)F
InChIInChI=1S/C8H11F2NO/c1-6(12)11-3-2-7(5-11)4-8(7,9)10/h2-5H2,1H3
InChIKeyPPPRORTYBWPNNM-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.26
Rot. Bonds

About 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone

1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone (PubChem CID 174315535) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone
PubChem CID174315535
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone
SMILESCC(=O)N1CCC2(C1)CC2(F)F
InChIInChI=1S/C8H11F2NO/c1-6(12)11-3-2-7(5-11)4-8(7,9)10/h2-5H2,1H3
InChIKeyPPPRORTYBWPNNM-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
CID 10679320
1-[(3R,4S)-3-ethyl-4-methylpyrrolidin-1-yl]-2,2-difluoroethanone
CID 68350271
2,2,2-Trifluoro-1-(2,4,4-trimethylpyrrolidin-1-yl)ethanone
CID 73155107
1-(3-Ethyl-4-methylpyrrolidin-1-yl)-2,2-difluoroethanone
CID 77465440
1-(3,3-Dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036683
1-(8-Ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
2,2,2-Trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 91583203
2,2-Difluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 103516022
1-(3-Ethylpyrrolidin-1-yl)-2,2-difluoroethanone
CID 103516023
2,2,2-Trifluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 115687193
1-(3-Tert-butyl-4-ethylpyrrolidin-1-yl)-2,2-difluoroethanone
CID 117878076
3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444478

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone?
The IUPAC name of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone (CID 174315535) is 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone.
What is the SMILES notation for 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone?
The canonical SMILES for 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone is CC(=O)N1CCC2(C1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone?
The InChIKey is PPPRORTYBWPNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-6(12)11-3-2-7(5-11)4-8(7,9)10/h2-5H2,1H3.
What are the key properties of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone?
1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone has a molecular weight of 175.18 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone is sourced from PubChem (CID 174315535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).