1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone

C8H11F2NO — CID 103515712

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CC2CCC1C2
InChIInChI=1S/C8H11F2NO/c9-7(10)8(12)11-4-5-1-2-6(11)3-5/h5-7H,1-4H2
InChIKeyRSOFYJWVQBXRDA-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.26
Rot. Bonds1

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone

1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone (PubChem CID 103515712) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
PubChem CID103515712
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CC2CCC1C2
InChIInChI=1S/C8H11F2NO/c9-7(10)8(12)11-4-5-1-2-6(11)3-5/h5-7H,1-4H2
InChIKeyRSOFYJWVQBXRDA-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.26
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)-2,2-difluoroethanone?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone (CID 103515712) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone is O=C(C(F)F)N1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone?
The InChIKey is RSOFYJWVQBXRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-7(10)8(12)11-4-5-1-2-6(11)3-5/h5-7H,1-4H2.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone has a molecular weight of 175.18 g/mol, XLogP of 1.26, 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)-2,2-difluoroethanone is sourced from PubChem (CID 103515712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).