1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one

C8H13F2NO — CID 58026223

IUPAC1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-7(2,3)6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChIKeySWEDNDXJFFPLFL-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds

About 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one

1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 58026223) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID58026223
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-7(2,3)6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChIKeySWEDNDXJFFPLFL-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one (CID 58026223) is 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is SWEDNDXJFFPLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(2,3)6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one?
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 177.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58026223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).