2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone

C14H8Br2F2O — CID 106265929

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2F2O/c15-9-3-1-8(2-4-9)13(19)7-10-12(17)6-5-11(16)14(10)18/h1-6H,7H2
InChIKeyNTKRBGVFPAANQP-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone (PubChem CID 106265929) has the molecular formula C14H8Br2F2O and a molecular weight of 390.02 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
PubChem CID106265929
Molecular FormulaC14H8Br2F2O
Molecular Weight390.02 g/mol
Exact Mass387.89
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2F2O/c15-9-3-1-8(2-4-9)13(19)7-10-12(17)6-5-11(16)14(10)18/h1-6H,7H2
InChIKeyNTKRBGVFPAANQP-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
CID 114166217
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106266342
2-(3-bromo-2,6-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106266357
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 106272807
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone (CID 106265929) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone?
The InChIKey is NTKRBGVFPAANQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O/c15-9-3-1-8(2-4-9)13(19)7-10-12(17)6-5-11(16)14(10)18/h1-6H,7H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone has a molecular weight of 390.02 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 106265929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).