4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide

C12H15F3N2O2 — CID 115468119

IUPAC4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOCC)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-2-18-5-6-19-10-4-3-8(11(16)17)7-9(10)12(13,14)15/h3-4,7H,2,5-6H2,1H3,(H3,16,17)
InChIKeyAAUPSPBNHNHVAA-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.40
Rot. Bonds6

About 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide

4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 115468119) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID115468119
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOCC)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-2-18-5-6-19-10-4-3-8(11(16)17)7-9(10)12(13,14)15/h3-4,7H,2,5-6H2,1H3,(H3,16,17)
InChIKeyAAUPSPBNHNHVAA-UHFFFAOYSA-N
XLogP2.40
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.40
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

4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarbothioamide
CID 115467936
4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 106705056
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-amino-3-(trifluoromethyl)benzenecarboximidamide
CID 130743439
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 82955098
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177914
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide (CID 115468119) is 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOCC)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is AAUPSPBNHNHVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-18-5-6-19-10-4-3-8(11(16)17)7-9(10)12(13,14)15/h3-4,7H,2,5-6H2,1H3,(H3,16,17).
What are the key properties of 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide?
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 276.26 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 115468119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).