(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone

C14H10F3NO2 — CID 116548826

IUPAC(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-12-3-1-2-10(8-12)13(19)9-4-6-11(18)7-5-9/h1-8H,18H2
InChIKeyMGYWTTGBNHMVIE-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.40
Rot. Bonds3

About (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone

(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 116548826) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID116548826
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-12-3-1-2-10(8-12)13(19)9-4-6-11(18)7-5-9/h1-8H,18H2
InChIKeyMGYWTTGBNHMVIE-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116552314
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 116548826) is (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone is Nc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is MGYWTTGBNHMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)20-12-3-1-2-10(8-12)13(19)9-4-6-11(18)7-5-9/h1-8H,18H2.
What are the key properties of (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 281.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116548826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).