bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone

C13H18F2N2O — CID 177313228

IUPACbis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone
SMILESO=C(N1CC2(CC(F)C2)C1)N1CC2(CC(F)C2)C1
InChIInChI=1S/C13H18F2N2O/c14-9-1-12(2-9)5-16(6-12)11(18)17-7-13(8-17)3-10(15)4-13/h9-10H,1-8H2
InChIKeyUOFCCBOJSFLUOB-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.97
Rot. Bonds

About bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone

bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone (PubChem CID 177313228) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Namebis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone
PubChem CID177313228
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namebis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone
SMILESO=C(N1CC2(CC(F)C2)C1)N1CC2(CC(F)C2)C1
InChIInChI=1S/C13H18F2N2O/c14-9-1-12(2-9)5-16(6-12)11(18)17-7-13(8-17)3-10(15)4-13/h9-10H,1-8H2
InChIKeyUOFCCBOJSFLUOB-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone
CID 147297382

Frequently Asked Questions

What is the IUPAC name of bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone (CID 177313228) is bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone is O=C(N1CC2(CC(F)C2)C1)N1CC2(CC(F)C2)C1.
What is the InChIKey of bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is UOFCCBOJSFLUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-9-1-12(2-9)5-16(6-12)11(18)17-7-13(8-17)3-10(15)4-13/h9-10H,1-8H2.
What are the key properties of bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone?
bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 256.30 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 177313228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).