2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine

C10H13FIN3O — CID 71510557

IUPAC2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(OCCF)c(I)c1
InChIInChI=1S/C10H13FIN3O/c11-3-4-16-9-2-1-7(5-8(9)12)6-15-10(13)14/h1-2,5H,3-4,6H2,(H4,13,14,15)
InChIKeyOADSOTDSPRCXGK-UHFFFAOYSA-N
MW337.14 g/mol
LogP1.41
Rot. Bonds5

About 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine

2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine (PubChem CID 71510557) has the molecular formula C10H13FIN3O and a molecular weight of 337.14 g/mol. Its IUPAC name is 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine
PubChem CID71510557
Molecular FormulaC10H13FIN3O
Molecular Weight337.14 g/mol
Exact Mass337.01
IUPAC Name2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(OCCF)c(I)c1
InChIInChI=1S/C10H13FIN3O/c11-3-4-16-9-2-1-7(5-8(9)12)6-15-10(13)14/h1-2,5H,3-4,6H2,(H4,13,14,15)
InChIKeyOADSOTDSPRCXGK-UHFFFAOYSA-N
XLogP1.41
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 51.41
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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Related Compounds

2-[[3-bromo-4-(3-(18F)fluoropropoxy)phenyl]methyl]guanidine
CID 24989762
2-[[3-chloro-4-(2-sulfanylethoxy)phenyl]methyl]guanidine
CID 144552133
N'-[[3-bromo-4-(3-(18F)fluoropropoxy)phenyl]methyl]ethanimidamide
CID 59470535
3-[2-bromo-4-[(diaminomethylideneamino)methyl]phenoxy]propyl thiohypofluorite
CID 138502564
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
2-bromo-4-[(diaminomethylideneamino)methyl]-1-(3-iodosulfonyloxypropoxy)benzene
CID 146615447
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217
2-[[3-bromo-4-[3-(4-methylphenyl)propoxy]phenyl]methyl]guanidine
CID 139542544
N'-[[3-bromo-4-(2-(18F)fluoroethoxy)phenyl]methyl]ethanimidamide;N'-[[3-chloro-4-(2-(18F)fluoroethoxy)phenyl]methyl]ethanimidamide;N'-[[4-(2-(18F)fluoroethoxy)phenyl]methyl]ethanimidamide
CID 157202241
2-[6-[(diaminomethylideneamino)methyl]naphthalen-2-yl]oxyethyl thiohypofluorite
CID 138502735
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine?
The IUPAC name of 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine (CID 71510557) is 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine.
What is the SMILES notation for 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine?
The canonical SMILES for 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine is NC(N)=NCc1ccc(OCCF)c(I)c1.
What is the InChIKey of 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine?
The InChIKey is OADSOTDSPRCXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FIN3O/c11-3-4-16-9-2-1-7(5-8(9)12)6-15-10(13)14/h1-2,5H,3-4,6H2,(H4,13,14,15).
What are the key properties of 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine?
2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine has a molecular weight of 337.14 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluoroethoxy)-3-iodophenyl]methyl]guanidine is sourced from PubChem (CID 71510557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).