(3-amino-2,6-difluorophenyl)-phenylmethanone

C13H9F2NO — CID 79772791

IUPAC(3-amino-2,6-difluorophenyl)-phenylmethanone
SMILESNc1ccc(F)c(C(=O)c2ccccc2)c1F
InChIInChI=1S/C13H9F2NO/c14-9-6-7-10(16)12(15)11(9)13(17)8-4-2-1-3-5-8/h1-7H,16H2
InChIKeyQNHJYKQYSDILQQ-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.78
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-phenylmethanone

(3-amino-2,6-difluorophenyl)-phenylmethanone (PubChem CID 79772791) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-phenylmethanone
PubChem CID79772791
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(3-amino-2,6-difluorophenyl)-phenylmethanone
SMILESNc1ccc(F)c(C(=O)c2ccccc2)c1F
InChIInChI=1S/C13H9F2NO/c14-9-6-7-10(16)12(15)11(9)13(17)8-4-2-1-3-5-8/h1-7H,16H2
InChIKeyQNHJYKQYSDILQQ-UHFFFAOYSA-N
XLogP2.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-amino-2,6-difluorophenyl)-phenylmethanone 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-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
CID 79773002
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
CID 79773346
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
(2,3-dichloro-6-fluorophenyl)-phenylmethanone
CID 171366473
3-amino-6-fluorophthalic acid
CID 142417413
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
CID 175550278
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861743

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-phenylmethanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-phenylmethanone (CID 79772791) is (3-amino-2,6-difluorophenyl)-phenylmethanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-phenylmethanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-phenylmethanone is Nc1ccc(F)c(C(=O)c2ccccc2)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-phenylmethanone?
The InChIKey is QNHJYKQYSDILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c14-9-6-7-10(16)12(15)11(9)13(17)8-4-2-1-3-5-8/h1-7H,16H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-phenylmethanone?
(3-amino-2,6-difluorophenyl)-phenylmethanone has a molecular weight of 233.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-phenylmethanone is sourced from PubChem (CID 79772791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).