4-(difluoromethyl)azetidin-2-one

C4H5F2NO — CID 139604188

IUPAC4-(difluoromethyl)azetidin-2-one
SMILESO=C1CC(C(F)F)N1
InChIInChI=1S/C4H5F2NO/c5-4(6)2-1-3(8)7-2/h2,4H,1H2,(H,7,8)
InChIKeyPNOFHUWEVCDJNN-UHFFFAOYSA-N
MW121.09 g/mol
LogP0.14
Rot. Bonds1

About 4-(difluoromethyl)azetidin-2-one

4-(difluoromethyl)azetidin-2-one (PubChem CID 139604188) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 4-(difluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)azetidin-2-one
PubChem CID139604188
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name4-(difluoromethyl)azetidin-2-one
SMILESO=C1CC(C(F)F)N1
InChIInChI=1S/C4H5F2NO/c5-4(6)2-1-3(8)7-2/h2,4H,1H2,(H,7,8)
InChIKeyPNOFHUWEVCDJNN-UHFFFAOYSA-N
XLogP0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)azetidin-2-one?
The IUPAC name of 4-(difluoromethyl)azetidin-2-one (CID 139604188) is 4-(difluoromethyl)azetidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)azetidin-2-one?
The canonical SMILES for 4-(difluoromethyl)azetidin-2-one is O=C1CC(C(F)F)N1.
What is the InChIKey of 4-(difluoromethyl)azetidin-2-one?
The InChIKey is PNOFHUWEVCDJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-4(6)2-1-3(8)7-2/h2,4H,1H2,(H,7,8).
What are the key properties of 4-(difluoromethyl)azetidin-2-one?
4-(difluoromethyl)azetidin-2-one has a molecular weight of 121.09 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)azetidin-2-one is sourced from PubChem (CID 139604188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).