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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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).