1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone

C15H12F3NO — CID 112556286

IUPAC1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)11-6-7-13(19)12(9-11)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8,19H2
InChIKeyKMIVFEWUUYXSCN-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.71
Rot. Bonds3

About 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone

1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone (PubChem CID 112556286) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
PubChem CID112556286
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)11-6-7-13(19)12(9-11)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8,19H2
InChIKeyKMIVFEWUUYXSCN-UHFFFAOYSA-N
XLogP3.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.71
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

1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014
1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
CID 112556312
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752332
(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
CID 95420268
1-(6-amino-1,3-benzodioxol-5-yl)-2-phenylethanone
CID 11608549

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone (CID 112556286) is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone is Nc1ccc(C(F)(F)F)cc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone?
The InChIKey is KMIVFEWUUYXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)11-6-7-13(19)12(9-11)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8,19H2.
What are the key properties of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone?
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone has a molecular weight of 279.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 112556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).