1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone

C9H15F2NO — CID 159406346

IUPAC1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone
SMILESCC(=O)C1(NC(C)C)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-6(2)12-8(7(3)13)4-9(10,11)5-8/h6,12H,4-5H2,1-3H3
InChIKeyPMIYBXDOSWFLOJ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.74
Rot. Bonds3

About 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone

1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone (PubChem CID 159406346) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone
PubChem CID159406346
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone
SMILESCC(=O)C1(NC(C)C)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-6(2)12-8(7(3)13)4-9(10,11)5-8/h6,12H,4-5H2,1-3H3
InChIKeyPMIYBXDOSWFLOJ-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone?
The IUPAC name of 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone (CID 159406346) is 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone.
What is the SMILES notation for 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone?
The canonical SMILES for 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone is CC(=O)C1(NC(C)C)CC(F)(F)C1.
What is the InChIKey of 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone?
The InChIKey is PMIYBXDOSWFLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(2)12-8(7(3)13)4-9(10,11)5-8/h6,12H,4-5H2,1-3H3.
What are the key properties of 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone?
1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone has a molecular weight of 191.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone is sourced from PubChem (CID 159406346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).