7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one

C10H15F2NO — CID 146268041

IUPAC7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCCC(F)(F)C2)C1=O
InChIInChI=1S/C10H15F2NO/c1-13-6-5-9(8(13)14)3-2-4-10(11,12)7-9/h2-7H2,1H3
InChIKeyPGYNESBUCPLBNX-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.04
Rot. Bonds

About 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one

7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one (PubChem CID 146268041) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one
PubChem CID146268041
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCCC(F)(F)C2)C1=O
InChIInChI=1S/C10H15F2NO/c1-13-6-5-9(8(13)14)3-2-4-10(11,12)7-9/h2-7H2,1H3
InChIKeyPGYNESBUCPLBNX-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one (CID 146268041) is 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one is CN1CCC2(CCCC(F)(F)C2)C1=O.
What is the InChIKey of 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is PGYNESBUCPLBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-13-6-5-9(8(13)14)3-2-4-10(11,12)7-9/h2-7H2,1H3.
What are the key properties of 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one?
7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 203.23 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 146268041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).