4-(1,1-difluoroethyl)azetidin-2-one

C5H7F2NO — CID 89257990

IUPAC4-(1,1-difluoroethyl)azetidin-2-one
SMILESCC(F)(F)C1CC(=O)N1
InChIInChI=1S/C5H7F2NO/c1-5(6,7)3-2-4(9)8-3/h3H,2H2,1H3,(H,8,9)
InChIKeyCGCUKNQAVGTXKS-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.53
Rot. Bonds1

About 4-(1,1-difluoroethyl)azetidin-2-one

4-(1,1-difluoroethyl)azetidin-2-one (PubChem CID 89257990) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)azetidin-2-one
PubChem CID89257990
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name4-(1,1-difluoroethyl)azetidin-2-one
SMILESCC(F)(F)C1CC(=O)N1
InChIInChI=1S/C5H7F2NO/c1-5(6,7)3-2-4(9)8-3/h3H,2H2,1H3,(H,8,9)
InChIKeyCGCUKNQAVGTXKS-UHFFFAOYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

beta-Caprolactam
CID 168076
4-(Trifluoromethyl)azetidin-2-one
CID 21634327
N-Ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4280657
4-(Difluoromethyl)azetidin-2-one
CID 139604188
4-Ethylazetidin-2-one
CID 12590456
N-(2,2,2-trifluoroethyl)pentanamide
CID 89487108
3-Methyl-4-(trifluoromethyl)azetidin-2-one
CID 132275645
N-ethyl-2,2-difluoropentanamide
CID 23379723
4-(Fluoromethyl)azetidin-2-one
CID 54536465
(4R)-4-(trifluoromethyl)azetidin-2-one
CID 55299001
3-(Pentylamino)-4-(trifluoromethyl)azetidin-2-one
CID 69255418
N-(2,2-difluoroethyl)pentanamide
CID 87922259

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)azetidin-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)azetidin-2-one (CID 89257990) is 4-(1,1-difluoroethyl)azetidin-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)azetidin-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)azetidin-2-one is CC(F)(F)C1CC(=O)N1.
What is the InChIKey of 4-(1,1-difluoroethyl)azetidin-2-one?
The InChIKey is CGCUKNQAVGTXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-5(6,7)3-2-4(9)8-3/h3H,2H2,1H3,(H,8,9).
What are the key properties of 4-(1,1-difluoroethyl)azetidin-2-one?
4-(1,1-difluoroethyl)azetidin-2-one has a molecular weight of 135.11 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)azetidin-2-one is sourced from PubChem (CID 89257990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).