1-fluorocyclopropane-1-carboximidamide;hydrochloride

C4H8ClFN2 — CID 142606731

IUPAC1-fluorocyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1(F)CC1
InChIInChI=1S/C4H7FN2.ClH/c5-4(1-2-4)3(6)7;/h1-2H2,(H3,6,7);1H
InChIKeyGDRDEUTUSGKDCC-UHFFFAOYSA-N
MW138.57 g/mol
LogP0.85
Rot. Bonds1

About 1-fluorocyclopropane-1-carboximidamide;hydrochloride

1-fluorocyclopropane-1-carboximidamide;hydrochloride (PubChem CID 142606731) has the molecular formula C4H8ClFN2 and a molecular weight of 138.57 g/mol. Its IUPAC name is 1-fluorocyclopropane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-fluorocyclopropane-1-carboximidamide;hydrochloride
PubChem CID142606731
Molecular FormulaC4H8ClFN2
Molecular Weight138.57 g/mol
Exact Mass138.04
IUPAC Name1-fluorocyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1(F)CC1
InChIInChI=1S/C4H7FN2.ClH/c5-4(1-2-4)3(6)7;/h1-2H2,(H3,6,7);1H
InChIKeyGDRDEUTUSGKDCC-UHFFFAOYSA-N
XLogP0.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.57
LogP ≤ 50.85
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 1-fluorocyclopropane-1-carboximidamide;hydrochloride?
The IUPAC name of 1-fluorocyclopropane-1-carboximidamide;hydrochloride (CID 142606731) is 1-fluorocyclopropane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 1-fluorocyclopropane-1-carboximidamide;hydrochloride?
The canonical SMILES for 1-fluorocyclopropane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1(F)CC1.
What is the InChIKey of 1-fluorocyclopropane-1-carboximidamide;hydrochloride?
The InChIKey is GDRDEUTUSGKDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2.ClH/c5-4(1-2-4)3(6)7;/h1-2H2,(H3,6,7);1H.
What are the key properties of 1-fluorocyclopropane-1-carboximidamide;hydrochloride?
1-fluorocyclopropane-1-carboximidamide;hydrochloride has a molecular weight of 138.57 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclopropane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 142606731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).