1-(1-amino-3,3-difluorocyclobutyl)ethanone

C6H9F2NO — CID 170373656

IUPAC1-(1-amino-3,3-difluorocyclobutyl)ethanone
SMILESCC(=O)C1(N)CC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c1-4(10)5(9)2-6(7,8)3-5/h2-3,9H2,1H3
InChIKeyGZGBYSAMVJYIFY-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.70
Rot. Bonds1

About 1-(1-amino-3,3-difluorocyclobutyl)ethanone

1-(1-amino-3,3-difluorocyclobutyl)ethanone (PubChem CID 170373656) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1-(1-amino-3,3-difluorocyclobutyl)ethanone.

Molecular Properties

Compound Name1-(1-amino-3,3-difluorocyclobutyl)ethanone
PubChem CID170373656
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1-(1-amino-3,3-difluorocyclobutyl)ethanone
SMILESCC(=O)C1(N)CC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c1-4(10)5(9)2-6(7,8)3-5/h2-3,9H2,1H3
InChIKeyGZGBYSAMVJYIFY-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)ethanone?
The IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)ethanone (CID 170373656) is 1-(1-amino-3,3-difluorocyclobutyl)ethanone.
What is the SMILES notation for 1-(1-amino-3,3-difluorocyclobutyl)ethanone?
The canonical SMILES for 1-(1-amino-3,3-difluorocyclobutyl)ethanone is CC(=O)C1(N)CC(F)(F)C1.
What is the InChIKey of 1-(1-amino-3,3-difluorocyclobutyl)ethanone?
The InChIKey is GZGBYSAMVJYIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-4(10)5(9)2-6(7,8)3-5/h2-3,9H2,1H3.
What are the key properties of 1-(1-amino-3,3-difluorocyclobutyl)ethanone?
1-(1-amino-3,3-difluorocyclobutyl)ethanone has a molecular weight of 149.14 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 170373656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).