2-cyclopropyl-2-fluoroethanimidamide

C5H9FN2 — CID 115011075

IUPAC2-cyclopropyl-2-fluoroethanimidamide
SMILES[H]/N=C(\N)C(F)C1CC1
InChIInChI=1S/C5H9FN2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2H2,(H3,7,8)
InChIKeyVRKDBFRPFIVJMT-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.67
Rot. Bonds2

About 2-cyclopropyl-2-fluoroethanimidamide

2-cyclopropyl-2-fluoroethanimidamide (PubChem CID 115011075) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoroethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoroethanimidamide
PubChem CID115011075
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name2-cyclopropyl-2-fluoroethanimidamide
SMILES[H]/N=C(\N)C(F)C1CC1
InChIInChI=1S/C5H9FN2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2H2,(H3,7,8)
InChIKeyVRKDBFRPFIVJMT-UHFFFAOYSA-N
XLogP0.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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 2-cyclopropyl-2-fluoroethanimidamide?
The IUPAC name of 2-cyclopropyl-2-fluoroethanimidamide (CID 115011075) is 2-cyclopropyl-2-fluoroethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-fluoroethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-fluoroethanimidamide is [H]/N=C(\N)C(F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoroethanimidamide?
The InChIKey is VRKDBFRPFIVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2H2,(H3,7,8).
What are the key properties of 2-cyclopropyl-2-fluoroethanimidamide?
2-cyclopropyl-2-fluoroethanimidamide has a molecular weight of 116.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoroethanimidamide is sourced from PubChem (CID 115011075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).