2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide

C11H15FN2O2 — CID 107118124

IUPAC2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCCOC)c1F
InChIInChI=1S/C11H15FN2O2/c1-15-5-6-16-7-8-3-2-4-9(10(8)12)11(13)14/h2-4H,5-7H2,1H3,(H3,13,14)
InChIKeyRBVWRJXLHSTRQP-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.27
Rot. Bonds6

About 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide

2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide (PubChem CID 107118124) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
PubChem CID107118124
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCCOC)c1F
InChIInChI=1S/C11H15FN2O2/c1-15-5-6-16-7-8-3-2-4-9(10(8)12)11(13)14/h2-4H,5-7H2,1H3,(H3,13,14)
InChIKeyRBVWRJXLHSTRQP-UHFFFAOYSA-N
XLogP1.27
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
CID 107118142
2-fluoro-3-(3-methoxypropylsulfanylmethyl)benzenecarboximidamide
CID 107118507
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
2-fluoro-3-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 107118250
3-[(2,3-dimethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118135
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 107118111
3-(tert-butylsulfanylmethyl)-2-fluorobenzenecarboximidamide
CID 107118462

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide (CID 107118124) is 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(COCCOC)c1F.
What is the InChIKey of 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide?
The InChIKey is RBVWRJXLHSTRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-15-5-6-16-7-8-3-2-4-9(10(8)12)11(13)14/h2-4H,5-7H2,1H3,(H3,13,14).
What are the key properties of 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide?
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide has a molecular weight of 226.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 107118124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).