1-fluorocyclopropane-1-carboximidamide

C4H7FN2 — CID 142606732

IUPAC1-fluorocyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(F)CC1
InChIInChI=1S/C4H7FN2/c5-4(1-2-4)3(6)7/h1-2H2,(H3,6,7)
InChIKeyLBLGPWOPZSSVEF-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.42
Rot. Bonds1

About 1-fluorocyclopropane-1-carboximidamide

1-fluorocyclopropane-1-carboximidamide (PubChem CID 142606732) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 1-fluorocyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-fluorocyclopropane-1-carboximidamide
PubChem CID142606732
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name1-fluorocyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(F)CC1
InChIInChI=1S/C4H7FN2/c5-4(1-2-4)3(6)7/h1-2H2,(H3,6,7)
InChIKeyLBLGPWOPZSSVEF-UHFFFAOYSA-N
XLogP0.42
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.42
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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Related Compounds

1-(Trifluoromethyl)cyclopropane-1-carboximidamide
CID 155892743
1-Fluorocyclopropane-1-carboximidamide;hydrochloride
CID 142606731
1-Fluorocyclopropanecarboxamidine;dihydrochloride
CID 169449210

Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclopropane-1-carboximidamide?
The IUPAC name of 1-fluorocyclopropane-1-carboximidamide (CID 142606732) is 1-fluorocyclopropane-1-carboximidamide.
What is the SMILES notation for 1-fluorocyclopropane-1-carboximidamide?
The canonical SMILES for 1-fluorocyclopropane-1-carboximidamide is [H]/N=C(\N)C1(F)CC1.
What is the InChIKey of 1-fluorocyclopropane-1-carboximidamide?
The InChIKey is LBLGPWOPZSSVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2/c5-4(1-2-4)3(6)7/h1-2H2,(H3,6,7).
What are the key properties of 1-fluorocyclopropane-1-carboximidamide?
1-fluorocyclopropane-1-carboximidamide has a molecular weight of 102.11 g/mol, XLogP of 0.42, 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 is sourced from PubChem (CID 142606732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).