1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone

C15H16F3NO2 — CID 131702362

IUPAC1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H16F3NO2/c16-11-3-1-2-4-12(11)21-9-13(20)19-7-5-14(6-8-19)10-15(14,17)18/h1-4H,5-10H2
InChIKeyKXLSDMJPAPBEQK-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.85
Rot. Bonds3

About 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone

1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone (PubChem CID 131702362) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone
PubChem CID131702362
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H16F3NO2/c16-11-3-1-2-4-12(11)21-9-13(20)19-7-5-14(6-8-19)10-15(14,17)18/h1-4H,5-10H2
InChIKeyKXLSDMJPAPBEQK-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(2-fluorophenoxy)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175575
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
2-(2-fluorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875253
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
2-(2-fluorophenoxy)-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55746844
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
4-[2-(2-fluorophenoxy)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811892
2-(2-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977261
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone (CID 131702362) is 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone?
The InChIKey is KXLSDMJPAPBEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c16-11-3-1-2-4-12(11)21-9-13(20)19-7-5-14(6-8-19)10-15(14,17)18/h1-4H,5-10H2.
What are the key properties of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone?
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone has a molecular weight of 299.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 131702362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).