1-(2,2,2-trifluoroethyl)azetidin-2-one

C5H6F3NO — CID 67080567

IUPAC1-(2,2,2-trifluoroethyl)azetidin-2-one
SMILESO=C1CCN1CC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-9-2-1-4(9)10/h1-3H2
InChIKeyYLGUZKGAAFGOGQ-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.78
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)azetidin-2-one

1-(2,2,2-trifluoroethyl)azetidin-2-one (PubChem CID 67080567) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)azetidin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)azetidin-2-one
PubChem CID67080567
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name1-(2,2,2-trifluoroethyl)azetidin-2-one
SMILESO=C1CCN1CC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-9-2-1-4(9)10/h1-3H2
InChIKeyYLGUZKGAAFGOGQ-UHFFFAOYSA-N
XLogP0.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)azetidin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)azetidin-2-one (CID 67080567) is 1-(2,2,2-trifluoroethyl)azetidin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)azetidin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)azetidin-2-one is O=C1CCN1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)azetidin-2-one?
The InChIKey is YLGUZKGAAFGOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-9-2-1-4(9)10/h1-3H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)azetidin-2-one?
1-(2,2,2-trifluoroethyl)azetidin-2-one has a molecular weight of 153.10 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)azetidin-2-one is sourced from PubChem (CID 67080567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).