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

C11H4Br2ClFOS — CID 81266841

IUPAC(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)c1cccc(Cl)c1F
InChIInChI=1S/C11H4Br2ClFOS/c12-8-4-6(11(13)17-8)10(16)5-2-1-3-7(14)9(5)15/h1-4H
InChIKeyUVBVUBGREVFZBH-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.30
Rot. Bonds2

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

(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 81266841) has the molecular formula C11H4Br2ClFOS and a molecular weight of 398.48 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID81266841
Molecular FormulaC11H4Br2ClFOS
Molecular Weight398.48 g/mol
Exact Mass395.80
IUPAC Name(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)c1cccc(Cl)c1F
InChIInChI=1S/C11H4Br2ClFOS/c12-8-4-6(11(13)17-8)10(16)5-2-1-3-7(14)9(5)15/h1-4H
InChIKeyUVBVUBGREVFZBH-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

(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344961
(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348938
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone (CID 81266841) is (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone is O=C(c1cc(Br)sc1Br)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is UVBVUBGREVFZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2ClFOS/c12-8-4-6(11(13)17-8)10(16)5-2-1-3-7(14)9(5)15/h1-4H.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
(3-chloro-2-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 (3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 81266841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).