4-(fluoromethyl)azetidin-2-one

C4H6FNO — CID 54536465

IUPAC4-(fluoromethyl)azetidin-2-one
SMILESO=C1CC(CF)N1
InChIInChI=1S/C4H6FNO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)
InChIKeyZACYWSWFHQXKPR-UHFFFAOYSA-N
MW103.10 g/mol
LogP-0.16
Rot. Bonds1

About 4-(fluoromethyl)azetidin-2-one

4-(fluoromethyl)azetidin-2-one (PubChem CID 54536465) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 4-(fluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)azetidin-2-one
PubChem CID54536465
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name4-(fluoromethyl)azetidin-2-one
SMILESO=C1CC(CF)N1
InChIInChI=1S/C4H6FNO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)
InChIKeyZACYWSWFHQXKPR-UHFFFAOYSA-N
XLogP-0.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)azetidin-2-one?
The IUPAC name of 4-(fluoromethyl)azetidin-2-one (CID 54536465) is 4-(fluoromethyl)azetidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)azetidin-2-one?
The canonical SMILES for 4-(fluoromethyl)azetidin-2-one is O=C1CC(CF)N1.
What is the InChIKey of 4-(fluoromethyl)azetidin-2-one?
The InChIKey is ZACYWSWFHQXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7).
What are the key properties of 4-(fluoromethyl)azetidin-2-one?
4-(fluoromethyl)azetidin-2-one has a molecular weight of 103.10 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)azetidin-2-one is sourced from PubChem (CID 54536465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).