2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide

C10H11F3N2O — CID 24689821

IUPAC2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COCC(F)(F)F
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)6-16-5-7-3-1-2-4-8(7)9(14)15/h1-4H,5-6H2,(H3,14,15)
InChIKeyIMLRRYVPGLUXPR-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.05
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide

2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide (PubChem CID 24689821) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
PubChem CID24689821
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COCC(F)(F)F
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)6-16-5-7-3-1-2-4-8(7)9(14)15/h1-4H,5-6H2,(H3,14,15)
InChIKeyIMLRRYVPGLUXPR-UHFFFAOYSA-N
XLogP2.05
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-Imino-5,6-bis(2,2,2-trifluoroethoxymethyl)isoindol-1-amine
CID 12606474
3-ethoxy-1-(trifluoromethyl)-1H-isoindole
CID 14363758
3-Methoxy-1H-isoindol-1-imine
CID 12328983
3-methoxy-3H-isoindol-1-amine
CID 13353217
Ethyl o-trifluoromethyl-benzimidate
CID 13730261
Ethyl 2-(trifluoromethyl)benzenecarboximidate;hydrochloride
CID 13730262
3-ethoxy-7-fluoro-3H-isoindol-1-amine
CID 151103971
N'-[(Z)-aminomethylideneamino]-4-(2-fluoroethoxymethyl)benzenecarboximidamide
CID 156109373
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
CID 170757040
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
3,3-Diethoxy-7-fluoroisoindol-1-amine
CID 177733325
4-(Phenylmethoxymethyl)benzenecarboximidamide
CID 24689909

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide (CID 24689821) is 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The InChIKey is IMLRRYVPGLUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)6-16-5-7-3-1-2-4-8(7)9(14)15/h1-4H,5-6H2,(H3,14,15).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide has a molecular weight of 232.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24689821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).