2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide

C10H9F3N2O4 — CID 596770

IUPAC2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide
SMILESO=C(NCCc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)9(17)14-4-3-6-1-2-8(16)7(5-6)15(18)19/h1-2,5,16H,3-4H2,(H,14,17)
InChIKeyCZHQDEDTANOYKB-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.52
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide (PubChem CID 596770) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide
PubChem CID596770
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide
SMILESO=C(NCCc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)9(17)14-4-3-6-1-2-8(16)7(5-6)15(18)19/h1-2,5,16H,3-4H2,(H,14,17)
InChIKeyCZHQDEDTANOYKB-UHFFFAOYSA-N
XLogP1.52
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-4-[2-(trifluoromethylamino)ethyl]phenol
CID 150742399
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
2-(4-hydroxy-3-nitrophenyl)ethanesulfinic acid
CID 54385439
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(4-nitrophenyl)ethyl]propanamide
CID 79793079
2-nitro-4-[(2S)-3,3,3-trifluoro-2-(methylamino)propyl]phenol
CID 142924077
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
2-nitro-4-octadecylphenol
CID 19847264
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 58723639
methyl 2-[2-hydroxy-5-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]sulfonylphenyl]acetate
CID 86592680
4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-nitrophenol
CID 68917842
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 86611680
(4-hydroxy-3-nitrophenyl)methanesulfinate
CID 54515347

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide (CID 596770) is 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide is O=C(NCCc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide?
The InChIKey is CZHQDEDTANOYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)9(17)14-4-3-6-1-2-8(16)7(5-6)15(18)19/h1-2,5,16H,3-4H2,(H,14,17).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide has a molecular weight of 278.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 596770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).