3-fluorocyclobutane-1-carboximidamide

C5H9FN2 — CID 83853924

IUPAC3-fluorocyclobutane-1-carboximidamide
SMILES[H]/N=C(\N)C1CC(F)C1
InChIInChI=1S/C5H9FN2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H3,7,8)
InChIKeyWQFJSGWVYNATMY-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.67
Rot. Bonds1

About 3-fluorocyclobutane-1-carboximidamide

3-fluorocyclobutane-1-carboximidamide (PubChem CID 83853924) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 3-fluorocyclobutane-1-carboximidamide.

Molecular Properties

Compound Name3-fluorocyclobutane-1-carboximidamide
PubChem CID83853924
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name3-fluorocyclobutane-1-carboximidamide
SMILES[H]/N=C(\N)C1CC(F)C1
InChIInChI=1S/C5H9FN2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H3,7,8)
InChIKeyWQFJSGWVYNATMY-UHFFFAOYSA-N
XLogP0.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclobutane-1-carboximidamide?
The IUPAC name of 3-fluorocyclobutane-1-carboximidamide (CID 83853924) is 3-fluorocyclobutane-1-carboximidamide.
What is the SMILES notation for 3-fluorocyclobutane-1-carboximidamide?
The canonical SMILES for 3-fluorocyclobutane-1-carboximidamide is [H]/N=C(\N)C1CC(F)C1.
What is the InChIKey of 3-fluorocyclobutane-1-carboximidamide?
The InChIKey is WQFJSGWVYNATMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H3,7,8).
What are the key properties of 3-fluorocyclobutane-1-carboximidamide?
3-fluorocyclobutane-1-carboximidamide has a molecular weight of 116.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclobutane-1-carboximidamide is sourced from PubChem (CID 83853924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).