N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H9ClF3NO3 — CID 103829181

IUPACN-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO3/c11-7-3-6(1-2-8(7)16)15-9(17)4-18-5-10(12,13)14/h1-3,16H,4-5H2,(H,15,17)
InChIKeyDWVIGDGZYFDZBY-UHFFFAOYSA-N
MW283.63 g/mol
LogP2.56
Rot. Bonds4

About N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103829181) has the molecular formula C10H9ClF3NO3 and a molecular weight of 283.63 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103829181
Molecular FormulaC10H9ClF3NO3
Molecular Weight283.63 g/mol
Exact Mass283.02
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO3/c11-7-3-6(1-2-8(7)16)15-9(17)4-18-5-10(12,13)14/h1-3,16H,4-5H2,(H,15,17)
InChIKeyDWVIGDGZYFDZBY-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103829181) is N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DWVIGDGZYFDZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3/c11-7-3-6(1-2-8(7)16)15-9(17)4-18-5-10(12,13)14/h1-3,16H,4-5H2,(H,15,17).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 283.63 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103829181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).