4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide

C13H17F3N2O3 — CID 115468146

IUPAC4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOCCOC)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-19-4-5-20-6-7-21-11-3-2-9(12(17)18)8-10(11)13(14,15)16/h2-3,8H,4-7H2,1H3,(H3,17,18)
InChIKeyIUMLGDBFARVZCC-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.03
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide

4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 115468146) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID115468146
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOCCOC)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-19-4-5-20-6-7-21-11-3-2-9(12(17)18)8-10(11)13(14,15)16/h2-3,8H,4-7H2,1H3,(H3,17,18)
InChIKeyIUMLGDBFARVZCC-UHFFFAOYSA-N
XLogP2.03
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.03
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

4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468119
4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 106705056
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177914
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
N-(4-carbamimidoylphenyl)-N'-[1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 59506134
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarbothioamide
CID 115467936
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide (CID 115468146) is 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOCCOC)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is IUMLGDBFARVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-19-4-5-20-6-7-21-11-3-2-9(12(17)18)8-10(11)13(14,15)16/h2-3,8H,4-7H2,1H3,(H3,17,18).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide?
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 306.28 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 115468146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).