2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone

C13H22F2N2O — CID 171415708

IUPAC2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone
SMILESCC(C)N1CCCCC2(CN(C(=O)C(F)F)C2)C1
InChIInChI=1S/C13H22F2N2O/c1-10(2)16-6-4-3-5-13(7-16)8-17(9-13)12(18)11(14)15/h10-11H,3-9H2,1-2H3
InChIKeyXQCGMFZDKXCAIT-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.97
Rot. Bonds2

About 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone

2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone (PubChem CID 171415708) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone
PubChem CID171415708
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone
SMILESCC(C)N1CCCCC2(CN(C(=O)C(F)F)C2)C1
InChIInChI=1S/C13H22F2N2O/c1-10(2)16-6-4-3-5-13(7-16)8-17(9-13)12(18)11(14)15/h10-11H,3-9H2,1-2H3
InChIKeyXQCGMFZDKXCAIT-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
CID 171415786
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
CID 171415652
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
N-methyl-2-propan-2-yl-2,8-diazaspiro[5.6]dodecan-8-amine
CID 167259118
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone (CID 171415708) is 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone is CC(C)N1CCCCC2(CN(C(=O)C(F)F)C2)C1.
What is the InChIKey of 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone?
The InChIKey is XQCGMFZDKXCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-10(2)16-6-4-3-5-13(7-16)8-17(9-13)12(18)11(14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone?
2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone has a molecular weight of 260.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone is sourced from PubChem (CID 171415708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).