1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone

C7H8F3NO2 — CID 89118312

IUPAC1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)C1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO2/c1-4(12)5-2-11(3-5)6(13)7(8,9)10/h5H,2-3H2,1H3
InChIKeyBTVNACXGIMGRHG-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.60
Rot. Bonds1

About 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone

1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 89118312) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID89118312
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)C1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO2/c1-4(12)5-2-11(3-5)6(13)7(8,9)10/h5H,2-3H2,1H3
InChIKeyBTVNACXGIMGRHG-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone (CID 89118312) is 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone is CC(=O)C1CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is BTVNACXGIMGRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-4(12)5-2-11(3-5)6(13)7(8,9)10/h5H,2-3H2,1H3.
What are the key properties of 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone?
1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 195.14 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylazetidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 89118312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).