N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H9F5N2O2 — CID 103205716

IUPACN-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1cc(F)cc(F)c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H9F5N2O2/c11-5-1-6(12)9(7(16)2-5)17-8(18)3-19-4-10(13,14)15/h1-2H,3-4,16H2,(H,17,18)
InChIKeyYIBNWOXQWJEAJE-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.06
Rot. Bonds4

About N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205716) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205716
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC NameN-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1cc(F)cc(F)c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H9F5N2O2/c11-5-1-6(12)9(7(16)2-5)17-8(18)3-19-4-10(13,14)15/h1-2H,3-4,16H2,(H,17,18)
InChIKeyYIBNWOXQWJEAJE-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205716) is N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is Nc1cc(F)cc(F)c1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YIBNWOXQWJEAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c11-5-1-6(12)9(7(16)2-5)17-8(18)3-19-4-10(13,14)15/h1-2H,3-4,16H2,(H,17,18).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 284.18 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).