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

C14H10F3NOS — CID 767342

IUPAC[2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone
SMILESNc1ccc(SC(F)(F)F)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10F3NOS/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
InChIKeyOAODHSFREDSFTR-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.11
Rot. Bonds3

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

[2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone (PubChem CID 767342) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone
PubChem CID767342
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name[2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone
SMILESNc1ccc(SC(F)(F)F)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10F3NOS/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
InChIKeyOAODHSFREDSFTR-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone?
The IUPAC name of [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone (CID 767342) is [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone is Nc1ccc(SC(F)(F)F)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone?
The InChIKey is OAODHSFREDSFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/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-(trifluoromethylsulfanyl)phenyl]-phenylmethanone?
[2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone has a molecular weight of 297.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethylsulfanyl)phenyl]-phenylmethanone is sourced from PubChem (CID 767342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).