N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C10H6F6N2O2 — CID 101057684

IUPACN-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESNc1ccccc1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H6F6N2O2/c11-9(12,13)7(19)18(8(20)10(14,15)16)6-4-2-1-3-5(6)17/h1-4H,17H2
InChIKeyDPOGPSIMYABVNH-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.25
Rot. Bonds1

About N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 101057684) has the molecular formula C10H6F6N2O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID101057684
Molecular FormulaC10H6F6N2O2
Molecular Weight300.16 g/mol
Exact Mass300.03
IUPAC NameN-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESNc1ccccc1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H6F6N2O2/c11-9(12,13)7(19)18(8(20)10(14,15)16)6-4-2-1-3-5(6)17/h1-4H,17H2
InChIKeyDPOGPSIMYABVNH-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 114037917
amino-(2-aminophenyl)carbamic acid
CID 143072822
N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057685
(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
CID 175418478
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane
CID 142529747
2-(2-amino-N-(2-aminophenyl)anilino)phenol
CID 139931825
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877
2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine
CID 89187300
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
benzene-1,2-diamine;carbonic acid
CID 22256139

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 101057684) is N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is Nc1ccccc1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is DPOGPSIMYABVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O2/c11-9(12,13)7(19)18(8(20)10(14,15)16)6-4-2-1-3-5(6)17/h1-4H,17H2.
What are the key properties of N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 300.16 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 101057684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).