2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone

C14H6BrF5O — CID 106266017

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H6BrF5O/c15-8-1-2-9(16)7(13(8)19)5-12(21)6-3-10(17)14(20)11(18)4-6/h1-4H,5H2
InChIKeyCNENKEYOUFIZNJ-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.57
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone (PubChem CID 106266017) has the molecular formula C14H6BrF5O and a molecular weight of 365.10 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
PubChem CID106266017
Molecular FormulaC14H6BrF5O
Molecular Weight365.10 g/mol
Exact Mass363.95
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H6BrF5O/c15-8-1-2-9(16)7(13(8)19)5-12(21)6-3-10(17)14(20)11(18)4-6/h1-4H,5H2
InChIKeyCNENKEYOUFIZNJ-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
CID 114166217
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106266357
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
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)acetamide
CID 131036088
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106266342
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone (CID 106266017) is 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
The InChIKey is CNENKEYOUFIZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF5O/c15-8-1-2-9(16)7(13(8)19)5-12(21)6-3-10(17)14(20)11(18)4-6/h1-4H,5H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 365.10 g/mol, XLogP of 4.57, 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-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 106266017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).