2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

C10H16F2N2O — CID 103515799

IUPAC2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(C(=O)C(F)F)CC2
InChIInChI=1S/C10H16F2N2O/c1-13-7-2-3-8(13)6-14(5-4-7)10(15)9(11)12/h7-9H,2-6H2,1H3
InChIKeyQOGSMJZETVOLPQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.95
Rot. Bonds1

About 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (PubChem CID 103515799) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
PubChem CID103515799
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(C(=O)C(F)F)CC2
InChIInChI=1S/C10H16F2N2O/c1-13-7-2-3-8(13)6-14(5-4-7)10(15)9(11)12/h7-9H,2-6H2,1H3
InChIKeyQOGSMJZETVOLPQ-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.95
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-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (CID 103515799) is 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is CN1C2CCC1CN(C(=O)C(F)F)CC2.
What is the InChIKey of 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The InChIKey is QOGSMJZETVOLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-13-7-2-3-8(13)6-14(5-4-7)10(15)9(11)12/h7-9H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
2,2-difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone has a molecular weight of 218.25 g/mol, XLogP of 0.95, 1 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-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is sourced from PubChem (CID 103515799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).