(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone

C11H4Br2ClFOS — CID 43344961

IUPAC(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H4Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-2-1-5(15)3-8(6)14/h1-4H
InChIKeyIJSPBKOZVTUALE-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.30
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone

(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 43344961) has the molecular formula C11H4Br2ClFOS and a molecular weight of 398.48 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID43344961
Molecular FormulaC11H4Br2ClFOS
Molecular Weight398.48 g/mol
Exact Mass395.80
IUPAC Name(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H4Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-2-1-5(15)3-8(6)14/h1-4H
InChIKeyIJSPBKOZVTUALE-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone (CID 43344961) is (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone is O=C(c1ccc(F)cc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is IJSPBKOZVTUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-2-1-5(15)3-8(6)14/h1-4H.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 398.48 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 43344961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).