3-amino-4-(fluoromethyl)azetidin-2-one

C4H7FN2O — CID 13244797

IUPAC3-amino-4-(fluoromethyl)azetidin-2-one
SMILESNC1C(=O)NC1CF
InChIInChI=1S/C4H7FN2O/c5-1-2-3(6)4(8)7-2/h2-3H,1,6H2,(H,7,8)
InChIKeyKSHRKZHFWSFNEC-UHFFFAOYSA-N
MW118.11 g/mol
LogP-1.22
Rot. Bonds1

About 3-amino-4-(fluoromethyl)azetidin-2-one

3-amino-4-(fluoromethyl)azetidin-2-one (PubChem CID 13244797) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-amino-4-(fluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-4-(fluoromethyl)azetidin-2-one
PubChem CID13244797
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name3-amino-4-(fluoromethyl)azetidin-2-one
SMILESNC1C(=O)NC1CF
InChIInChI=1S/C4H7FN2O/c5-1-2-3(6)4(8)7-2/h2-3H,1,6H2,(H,7,8)
InChIKeyKSHRKZHFWSFNEC-UHFFFAOYSA-N
XLogP-1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(fluoromethyl)azetidin-2-one?
The IUPAC name of 3-amino-4-(fluoromethyl)azetidin-2-one (CID 13244797) is 3-amino-4-(fluoromethyl)azetidin-2-one.
What is the SMILES notation for 3-amino-4-(fluoromethyl)azetidin-2-one?
The canonical SMILES for 3-amino-4-(fluoromethyl)azetidin-2-one is NC1C(=O)NC1CF.
What is the InChIKey of 3-amino-4-(fluoromethyl)azetidin-2-one?
The InChIKey is KSHRKZHFWSFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-1-2-3(6)4(8)7-2/h2-3H,1,6H2,(H,7,8).
What are the key properties of 3-amino-4-(fluoromethyl)azetidin-2-one?
3-amino-4-(fluoromethyl)azetidin-2-one has a molecular weight of 118.11 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(fluoromethyl)azetidin-2-one is sourced from PubChem (CID 13244797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).