1-fluorocyclopropane-1-carboximidamide;dihydrochloride

C4H9Cl2FN2 — CID 169449210

IUPAC1-fluorocyclopropane-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C1(F)CC1
InChIInChI=1S/C4H7FN2.2ClH/c5-4(1-2-4)3(6)7;;/h1-2H2,(H3,6,7);2*1H
InChIKeyGTCFOOGKNQYDQO-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.27
Rot. Bonds1

About 1-fluorocyclopropane-1-carboximidamide;dihydrochloride

1-fluorocyclopropane-1-carboximidamide;dihydrochloride (PubChem CID 169449210) has the molecular formula C4H9Cl2FN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 1-fluorocyclopropane-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-fluorocyclopropane-1-carboximidamide;dihydrochloride
PubChem CID169449210
Molecular FormulaC4H9Cl2FN2
Molecular Weight175.03 g/mol
Exact Mass174.01
IUPAC Name1-fluorocyclopropane-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C1(F)CC1
InChIInChI=1S/C4H7FN2.2ClH/c5-4(1-2-4)3(6)7;;/h1-2H2,(H3,6,7);2*1H
InChIKeyGTCFOOGKNQYDQO-UHFFFAOYSA-N
XLogP1.27
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.27
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;dihydrochloride?
The IUPAC name of 1-fluorocyclopropane-1-carboximidamide;dihydrochloride (CID 169449210) is 1-fluorocyclopropane-1-carboximidamide;dihydrochloride.
What is the SMILES notation for 1-fluorocyclopropane-1-carboximidamide;dihydrochloride?
The canonical SMILES for 1-fluorocyclopropane-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C1(F)CC1.
What is the InChIKey of 1-fluorocyclopropane-1-carboximidamide;dihydrochloride?
The InChIKey is GTCFOOGKNQYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2.2ClH/c5-4(1-2-4)3(6)7;;/h1-2H2,(H3,6,7);2*1H.
What are the key properties of 1-fluorocyclopropane-1-carboximidamide;dihydrochloride?
1-fluorocyclopropane-1-carboximidamide;dihydrochloride has a molecular weight of 175.03 g/mol, XLogP of 1.27, 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;dihydrochloride is sourced from PubChem (CID 169449210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).