1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one

C10H16FNO — CID 130165365

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CC2CCC1C2
InChIInChI=1S/C10H16FNO/c1-10(2,11)9(13)12-6-7-3-4-8(12)5-7/h7-8H,3-6H2,1-2H3
InChIKeyMJVJBEZETVBCRX-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.75
Rot. Bonds1

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one

1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130165365) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130165365
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CC2CCC1C2
InChIInChI=1S/C10H16FNO/c1-10(2,11)9(13)12-6-7-3-4-8(12)5-7/h7-8H,3-6H2,1-2H3
InChIKeyMJVJBEZETVBCRX-UHFFFAOYSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one (CID 130165365) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)N1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is MJVJBEZETVBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-10(2,11)9(13)12-6-7-3-4-8(12)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 185.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130165365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).