(4R)-4-(trifluoromethyl)azetidin-2-one

C4H4F3NO — CID 55299001

IUPAC(4R)-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1C[C@H](C(F)(F)F)N1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(9)8-2/h2H,1H2,(H,8,9)/t2-/m1/s1
InChIKeyQPVHHOHJONKYIO-UWTATZPHSA-N
MW139.08 g/mol
LogP0.44
Rot. Bonds

About (4R)-4-(trifluoromethyl)azetidin-2-one

(4R)-4-(trifluoromethyl)azetidin-2-one (PubChem CID 55299001) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is (4R)-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-(trifluoromethyl)azetidin-2-one
PubChem CID55299001
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name(4R)-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1C[C@H](C(F)(F)F)N1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(9)8-2/h2H,1H2,(H,8,9)/t2-/m1/s1
InChIKeyQPVHHOHJONKYIO-UWTATZPHSA-N
XLogP0.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (4R)-4-(trifluoromethyl)azetidin-2-one (CID 55299001) is (4R)-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (4R)-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (4R)-4-(trifluoromethyl)azetidin-2-one is O=C1C[C@H](C(F)(F)F)N1.
What is the InChIKey of (4R)-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is QPVHHOHJONKYIO-UWTATZPHSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(9)8-2/h2H,1H2,(H,8,9)/t2-/m1/s1.
What are the key properties of (4R)-4-(trifluoromethyl)azetidin-2-one?
(4R)-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 139.08 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 55299001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).