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

C13H7BrF2O — CID 106941652

IUPAC(3-bromo-2,6-difluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H7BrF2O/c14-9-6-7-10(15)11(12(9)16)13(17)8-4-2-1-3-5-8/h1-7H
InChIKeyWUPXLYZHHVJRLJ-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.96
Rot. Bonds2

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

(3-bromo-2,6-difluorophenyl)-phenylmethanone (PubChem CID 106941652) has the molecular formula C13H7BrF2O and a molecular weight of 297.10 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-phenylmethanone
PubChem CID106941652
Molecular FormulaC13H7BrF2O
Molecular Weight297.10 g/mol
Exact Mass295.96
IUPAC Name(3-bromo-2,6-difluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H7BrF2O/c14-9-6-7-10(15)11(12(9)16)13(17)8-4-2-1-3-5-8/h1-7H
InChIKeyWUPXLYZHHVJRLJ-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3-bromo-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)-pyridin-3-ylmethanone
CID 106941643
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone
CID 106943998
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone
CID 106944059
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-phenylmethanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-phenylmethanone (CID 106941652) is (3-bromo-2,6-difluorophenyl)-phenylmethanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-phenylmethanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-phenylmethanone is O=C(c1ccccc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-phenylmethanone?
The InChIKey is WUPXLYZHHVJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O/c14-9-6-7-10(15)11(12(9)16)13(17)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-phenylmethanone?
(3-bromo-2,6-difluorophenyl)-phenylmethanone has a molecular weight of 297.10 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-phenylmethanone is sourced from PubChem (CID 106941652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).