3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one

C7H10FNO — CID 126762671

IUPAC3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one
SMILESO=C1CC2CC1NC2CF
InChIInChI=1S/C7H10FNO/c8-3-6-4-1-5(9-6)7(10)2-4/h4-6,9H,1-3H2
InChIKeyJHQJQLRGUDHDRS-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.28
Rot. Bonds1

About 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one

3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one (PubChem CID 126762671) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one.

Molecular Properties

Compound Name3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one
PubChem CID126762671
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one
SMILESO=C1CC2CC1NC2CF
InChIInChI=1S/C7H10FNO/c8-3-6-4-1-5(9-6)7(10)2-4/h4-6,9H,1-3H2
InChIKeyJHQJQLRGUDHDRS-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one?
The IUPAC name of 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one (CID 126762671) is 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one.
What is the SMILES notation for 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one?
The canonical SMILES for 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one is O=C1CC2CC1NC2CF.
What is the InChIKey of 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one?
The InChIKey is JHQJQLRGUDHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c8-3-6-4-1-5(9-6)7(10)2-4/h4-6,9H,1-3H2.
What are the key properties of 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one?
3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one has a molecular weight of 143.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-one is sourced from PubChem (CID 126762671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).