3-(fluoromethyl)azetidine-1-carboxamide

C5H9FN2O — CID 167481965

IUPAC3-(fluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(CF)C1
InChIInChI=1S/C5H9FN2O/c6-1-4-2-8(3-4)5(7)9/h4H,1-3H2,(H2,7,9)
InChIKeyHFZUPOVSTSCODS-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.03
Rot. Bonds1

About 3-(fluoromethyl)azetidine-1-carboxamide

3-(fluoromethyl)azetidine-1-carboxamide (PubChem CID 167481965) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 3-(fluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(fluoromethyl)azetidine-1-carboxamide
PubChem CID167481965
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name3-(fluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(CF)C1
InChIInChI=1S/C5H9FN2O/c6-1-4-2-8(3-4)5(7)9/h4H,1-3H2,(H2,7,9)
InChIKeyHFZUPOVSTSCODS-UHFFFAOYSA-N
XLogP-0.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(fluoromethyl)azetidine-1-carboxamide (CID 167481965) is 3-(fluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(fluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(fluoromethyl)azetidine-1-carboxamide is NC(=O)N1CC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)azetidine-1-carboxamide?
The InChIKey is HFZUPOVSTSCODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c6-1-4-2-8(3-4)5(7)9/h4H,1-3H2,(H2,7,9).
What are the key properties of 3-(fluoromethyl)azetidine-1-carboxamide?
3-(fluoromethyl)azetidine-1-carboxamide has a molecular weight of 132.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 167481965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).