1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone

C10H10F3NO — CID 137434412

IUPAC1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone
SMILESCC(=O)c1cc(CC(F)(F)F)ccc1N
InChIInChI=1S/C10H10F3NO/c1-6(15)8-4-7(2-3-9(8)14)5-10(11,12)13/h2-4H,5,14H2,1H3
InChIKeyZBFRLLRTFLNTKQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.58
Rot. Bonds2

About 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone

1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone (PubChem CID 137434412) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone
PubChem CID137434412
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone
SMILESCC(=O)c1cc(CC(F)(F)F)ccc1N
InChIInChI=1S/C10H10F3NO/c1-6(15)8-4-7(2-3-9(8)14)5-10(11,12)13/h2-4H,5,14H2,1H3
InChIKeyZBFRLLRTFLNTKQ-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 67818172
lithium 3-(3-acetyl-4-aminophenyl)propanoate
CID 58481210
1-[2-amino-5-(3,3,3-trifluoropropoxy)phenyl]ethanone
CID 104613361
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
2,5-bis(2,2,2-trifluoroethyl)benzoic acid
CID 87232207
5-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)benzoic acid
CID 115050580
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-[2-amino-5-[2-(trifluoromethylsulfanyl)ethylamino]phenyl]ethanone
CID 114187363
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830543

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone (CID 137434412) is 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone is CC(=O)c1cc(CC(F)(F)F)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone?
The InChIKey is ZBFRLLRTFLNTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6(15)8-4-7(2-3-9(8)14)5-10(11,12)13/h2-4H,5,14H2,1H3.
What are the key properties of 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone?
1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone has a molecular weight of 217.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone is sourced from PubChem (CID 137434412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).