2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one

C12H18F3NO2 — CID 70620401

IUPAC2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one
SMILESCC(C)C1C(=O)C(C(C)C)N1C(=O)CC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-6(2)9-11(18)10(7(3)4)16(9)8(17)5-12(13,14)15/h6-7,9-10H,5H2,1-4H3
InChIKeyGLNXAQMLJIZKEJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.40
Rot. Bonds3

About 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one

2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one (PubChem CID 70620401) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one
PubChem CID70620401
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one
SMILESCC(C)C1C(=O)C(C(C)C)N1C(=O)CC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-6(2)9-11(18)10(7(3)4)16(9)8(17)5-12(13,14)15/h6-7,9-10H,5H2,1-4H3
InChIKeyGLNXAQMLJIZKEJ-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one?
The IUPAC name of 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one (CID 70620401) is 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one.
What is the SMILES notation for 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one?
The canonical SMILES for 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one is CC(C)C1C(=O)C(C(C)C)N1C(=O)CC(F)(F)F.
What is the InChIKey of 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one?
The InChIKey is GLNXAQMLJIZKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-6(2)9-11(18)10(7(3)4)16(9)8(17)5-12(13,14)15/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one?
2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one has a molecular weight of 265.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one is sourced from PubChem (CID 70620401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).