[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone

C14H10F3NO2 — CID 767339

IUPAC[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
SMILESNc1ccc(OC(F)(F)F)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-10-6-7-12(18)11(8-10)13(19)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyPTLXKTHSDRCKBH-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.40
Rot. Bonds3

About [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone

[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone (PubChem CID 767339) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
PubChem CID767339
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
SMILESNc1ccc(OC(F)(F)F)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-10-6-7-12(18)11(8-10)13(19)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyPTLXKTHSDRCKBH-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621330
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
1-[2-amino-5-(trifluoromethoxy)phenyl]pentan-1-one
CID 83988078
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
(2-aminophenyl)-phenylmethanone
CID 158207972

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone (CID 767339) is [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone is Nc1ccc(OC(F)(F)F)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone?
The InChIKey is PTLXKTHSDRCKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)20-10-6-7-12(18)11(8-10)13(19)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone?
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone 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 [2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 767339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).