trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide

C5H9FN2O — CID 134532073

IUPACtrans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1CC[C@H]1F
InChIInChI=1S/C5H9FN2O/c6-4-2-1-3(4)5(9)8-7/h3-4H,1-2,7H2,(H,8,9)/t3-,4-/m1/s1
InChIKeyOOPOFSDQIWAHIS-QWWZWVQMSA-N
MW132.14 g/mol
LogP-0.28
Rot. Bonds1

About trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide

trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide (PubChem CID 134532073) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide
PubChem CID134532073
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Nametrans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1CC[C@H]1F
InChIInChI=1S/C5H9FN2O/c6-4-2-1-3(4)5(9)8-7/h3-4H,1-2,7H2,(H,8,9)/t3-,4-/m1/s1
InChIKeyOOPOFSDQIWAHIS-QWWZWVQMSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide?
The IUPAC name of trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide (CID 134532073) is trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide.
What is the SMILES notation for trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide?
The canonical SMILES for trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide is NNC(=O)[C@@H]1CC[C@H]1F.
What is the InChIKey of trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide?
The InChIKey is OOPOFSDQIWAHIS-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9FN2O/c6-4-2-1-3(4)5(9)8-7/h3-4H,1-2,7H2,(H,8,9)/t3-,4-/m1/s1.
What are the key properties of trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide?
trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide has a molecular weight of 132.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-fluorocyclobutane-1-carbohydrazide is sourced from PubChem (CID 134532073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).