5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide

C12H17FN2O3 — CID 104562366

IUPAC5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCOCCOC
InChIInChI=1S/C12H17FN2O3/c1-16-4-5-17-6-7-18-11-3-2-9(13)8-10(11)12(14)15/h2-3,8H,4-7H2,1H3,(H3,14,15)
InChIKeyAOMGSWUPKRXIFO-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.15
Rot. Bonds8

About 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide

5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide (PubChem CID 104562366) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
PubChem CID104562366
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCOCCOC
InChIInChI=1S/C12H17FN2O3/c1-16-4-5-17-6-7-18-11-3-2-9(13)8-10(11)12(14)15/h2-3,8H,4-7H2,1H3,(H3,14,15)
InChIKeyAOMGSWUPKRXIFO-UHFFFAOYSA-N
XLogP1.15
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759
5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 63668159
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide (CID 104562366) is 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1OCCOCCOC.
What is the InChIKey of 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
The InChIKey is AOMGSWUPKRXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-16-4-5-17-6-7-18-11-3-2-9(13)8-10(11)12(14)15/h2-3,8H,4-7H2,1H3,(H3,14,15).
What are the key properties of 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide has a molecular weight of 256.28 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 104562366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).