2-(azetidin-3-yl)-2-fluoroacetohydrazide

C5H10FN3O — CID 130594745

IUPAC2-(azetidin-3-yl)-2-fluoroacetohydrazide
SMILESNNC(=O)C(F)C1CNC1
InChIInChI=1S/C5H10FN3O/c6-4(5(10)9-7)3-1-8-2-3/h3-4,8H,1-2,7H2,(H,9,10)
InChIKeyMVQWXXCTTBMOBH-UHFFFAOYSA-N
MW147.15 g/mol
LogP-1.47
Rot. Bonds2

About 2-(azetidin-3-yl)-2-fluoroacetohydrazide

2-(azetidin-3-yl)-2-fluoroacetohydrazide (PubChem CID 130594745) has the molecular formula C5H10FN3O and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2-fluoroacetohydrazide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2-fluoroacetohydrazide
PubChem CID130594745
Molecular FormulaC5H10FN3O
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC Name2-(azetidin-3-yl)-2-fluoroacetohydrazide
SMILESNNC(=O)C(F)C1CNC1
InChIInChI=1S/C5H10FN3O/c6-4(5(10)9-7)3-1-8-2-3/h3-4,8H,1-2,7H2,(H,9,10)
InChIKeyMVQWXXCTTBMOBH-UHFFFAOYSA-N
XLogP-1.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2-fluoroacetohydrazide?
The IUPAC name of 2-(azetidin-3-yl)-2-fluoroacetohydrazide (CID 130594745) is 2-(azetidin-3-yl)-2-fluoroacetohydrazide.
What is the SMILES notation for 2-(azetidin-3-yl)-2-fluoroacetohydrazide?
The canonical SMILES for 2-(azetidin-3-yl)-2-fluoroacetohydrazide is NNC(=O)C(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-2-fluoroacetohydrazide?
The InChIKey is MVQWXXCTTBMOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3O/c6-4(5(10)9-7)3-1-8-2-3/h3-4,8H,1-2,7H2,(H,9,10).
What are the key properties of 2-(azetidin-3-yl)-2-fluoroacetohydrazide?
2-(azetidin-3-yl)-2-fluoroacetohydrazide has a molecular weight of 147.15 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2-fluoroacetohydrazide is sourced from PubChem (CID 130594745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).