1-fluoroazetidine-3-carboxamide

C4H7FN2O — CID 130227484

IUPAC1-fluoroazetidine-3-carboxamide
SMILESNC(=O)C1CN(F)C1
InChIInChI=1S/C4H7FN2O/c5-7-1-3(2-7)4(6)8/h3H,1-2H2,(H2,6,8)
InChIKeyYHWIFTSJCANJTR-UHFFFAOYSA-N
MW118.11 g/mol
LogP-0.71
Rot. Bonds1

About 1-fluoroazetidine-3-carboxamide

1-fluoroazetidine-3-carboxamide (PubChem CID 130227484) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is 1-fluoroazetidine-3-carboxamide.

Molecular Properties

Compound Name1-fluoroazetidine-3-carboxamide
PubChem CID130227484
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name1-fluoroazetidine-3-carboxamide
SMILESNC(=O)C1CN(F)C1
InChIInChI=1S/C4H7FN2O/c5-7-1-3(2-7)4(6)8/h3H,1-2H2,(H2,6,8)
InChIKeyYHWIFTSJCANJTR-UHFFFAOYSA-N
XLogP-0.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroazetidine-3-carboxamide?
The IUPAC name of 1-fluoroazetidine-3-carboxamide (CID 130227484) is 1-fluoroazetidine-3-carboxamide.
What is the SMILES notation for 1-fluoroazetidine-3-carboxamide?
The canonical SMILES for 1-fluoroazetidine-3-carboxamide is NC(=O)C1CN(F)C1.
What is the InChIKey of 1-fluoroazetidine-3-carboxamide?
The InChIKey is YHWIFTSJCANJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-7-1-3(2-7)4(6)8/h3H,1-2H2,(H2,6,8).
What are the key properties of 1-fluoroazetidine-3-carboxamide?
1-fluoroazetidine-3-carboxamide has a molecular weight of 118.11 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroazetidine-3-carboxamide is sourced from PubChem (CID 130227484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).