2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine

C11H15FIN3O — CID 175476116

IUPAC2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine
SMILESCCC(F)OC(N=C(N)N)c1cccc(I)c1
InChIInChI=1S/C11H15FIN3O/c1-2-9(12)17-10(16-11(14)15)7-4-3-5-8(13)6-7/h3-6,9-10H,2H2,1H3,(H4,14,15,16)
InChIKeyBKHCOPIJQBINEW-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.29
Rot. Bonds5

About 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine

2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine (PubChem CID 175476116) has the molecular formula C11H15FIN3O and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine
PubChem CID175476116
Molecular FormulaC11H15FIN3O
Molecular Weight351.16 g/mol
Exact Mass351.02
IUPAC Name2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine
SMILESCCC(F)OC(N=C(N)N)c1cccc(I)c1
InChIInChI=1S/C11H15FIN3O/c1-2-9(12)17-10(16-11(14)15)7-4-3-5-8(13)6-7/h3-6,9-10H,2H2,1H3,(H4,14,15,16)
InChIKeyBKHCOPIJQBINEW-UHFFFAOYSA-N
XLogP2.29
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine?
The IUPAC name of 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine (CID 175476116) is 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine.
What is the SMILES notation for 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine?
The canonical SMILES for 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine is CCC(F)OC(N=C(N)N)c1cccc(I)c1.
What is the InChIKey of 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine?
The InChIKey is BKHCOPIJQBINEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN3O/c1-2-9(12)17-10(16-11(14)15)7-4-3-5-8(13)6-7/h3-6,9-10H,2H2,1H3,(H4,14,15,16).
What are the key properties of 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine?
2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine has a molecular weight of 351.16 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoropropoxy-(3-iodophenyl)methyl]guanidine is sourced from PubChem (CID 175476116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).