1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone

C12H6BrClF2OS — CID 114967511

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H6BrClF2OS/c13-6-3-8(15)12(9(16)4-6)10(17)5-7-1-2-11(14)18-7/h1-4H,5H2
InChIKeyAPAZAEQEZXPROO-UHFFFAOYSA-N
MW351.60 g/mol
LogP4.87
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone

1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone (PubChem CID 114967511) has the molecular formula C12H6BrClF2OS and a molecular weight of 351.60 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone
PubChem CID114967511
Molecular FormulaC12H6BrClF2OS
Molecular Weight351.60 g/mol
Exact Mass349.90
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H6BrClF2OS/c13-6-3-8(15)12(9(16)4-6)10(17)5-7-1-2-11(14)18-7/h1-4H,5H2
InChIKeyAPAZAEQEZXPROO-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.60
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-2-thienyl)phenylmethanone
CID 298604
(E)-3-(3-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 102220645
Methanone, (5-chloro-2-thienyl)phenyl-
CID 901505
4-(4-Bromophenyl)thiophene-2-carbonyl chloride
CID 2757169
(4-Chlorothiophen-2-yl)(4-fluorophenyl)methanone
CID 21704890
1-[3-Bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone
CID 2808189
(E)-1-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 52949558
(E)-3-(4-bromo-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 7946976
1-[5-(4-Bromophenyl)-2-methylthiophen-3-yl]ethanone
CID 83613500
(2E)-1-(5-Bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 101571766
(2E)-1-(5-Bromothiophen-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 101571767
(E)-3-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 6141148

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone (CID 114967511) is 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone is O=C(Cc1ccc(Cl)s1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is APAZAEQEZXPROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2OS/c13-6-3-8(15)12(9(16)4-6)10(17)5-7-1-2-11(14)18-7/h1-4H,5H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone?
1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 351.60 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 114967511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).