N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide

C10H11F3N2O2 — CID 107335113

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(C(O)CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)15-5-8(16)6-1-3-7(14)4-2-6/h1-4,8,16H,5,14H2,(H,15,17)
InChIKeyMYNMGLNLNWDYIH-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.98
Rot. Bonds3

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 107335113) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
PubChem CID107335113
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(C(O)CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)15-5-8(16)6-1-3-7(14)4-2-6/h1-4,8,16H,5,14H2,(H,15,17)
InChIKeyMYNMGLNLNWDYIH-UHFFFAOYSA-N
XLogP0.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-(2-hydroxyphenyl)acetamide
CID 80743477
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 18442214
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane
CID 91382909
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
CID 3253809

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide (CID 107335113) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide is Nc1ccc(C(O)CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is MYNMGLNLNWDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)15-5-8(16)6-1-3-7(14)4-2-6/h1-4,8,16H,5,14H2,(H,15,17).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 248.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 107335113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).