4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide

C10H11F3N2O2 — CID 43138698

IUPAC4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCO)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-6(17-4-3-16)1-2-7(8)9(14)15/h1-2,5,16H,3-4H2,(H3,14,15)
InChIKeyKAGFYEYSJIHRFY-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.36
Rot. Bonds4

About 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide

4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43138698) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43138698
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCO)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-6(17-4-3-16)1-2-7(8)9(14)15/h1-2,5,16H,3-4H2,(H3,14,15)
InChIKeyKAGFYEYSJIHRFY-UHFFFAOYSA-N
XLogP1.36
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 106665829
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
CID 43138569
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
CID 43267718
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 102781481
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol
CID 152998795

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide (CID 43138698) is 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCO)cc1C(F)(F)F.
What is the InChIKey of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is KAGFYEYSJIHRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-6(17-4-3-16)1-2-7(8)9(14)15/h1-2,5,16H,3-4H2,(H3,14,15).
What are the key properties of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide?
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 248.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43138698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).