1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine

C10H11BrFN3 — CID 62380000

IUPAC1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFN3/c11-8-5-6(12)1-4-9(8)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15)
InChIKeyWTPYYRAAASLBFS-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine

1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine (PubChem CID 62380000) has the molecular formula C10H11BrFN3 and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
PubChem CID62380000
Molecular FormulaC10H11BrFN3
Molecular Weight272.12 g/mol
Exact Mass271.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFN3/c11-8-5-6(12)1-4-9(8)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15)
InChIKeyWTPYYRAAASLBFS-UHFFFAOYSA-N
XLogP2.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.48
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-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine (CID 62380000) is 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine is N/C(=N\C1CC1)Nc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine?
The InChIKey is WTPYYRAAASLBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3/c11-8-5-6(12)1-4-9(8)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine?
1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine has a molecular weight of 272.12 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 62380000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).