(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

C13H10BrFO2S — CID 102882279

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(C)cc2Br)c(F)c1
InChIInChI=1S/C13H10BrFO2S/c1-7-5-10(14)13(18-7)12(16)9-4-3-8(17-2)6-11(9)15/h3-6H,1-2H3
InChIKeyFAQDHYQCESPJOC-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.20
Rot. Bonds3

About (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102882279) has the molecular formula C13H10BrFO2S and a molecular weight of 329.19 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102882279
Molecular FormulaC13H10BrFO2S
Molecular Weight329.19 g/mol
Exact Mass327.96
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(C)cc2Br)c(F)c1
InChIInChI=1S/C13H10BrFO2S/c1-7-5-10(14)13(18-7)12(16)9-4-3-8(17-2)6-11(9)15/h3-6H,1-2H3
InChIKeyFAQDHYQCESPJOC-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanone
CID 65279107
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 81304337
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102882279) is (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc(C)cc2Br)c(F)c1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is FAQDHYQCESPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2S/c1-7-5-10(14)13(18-7)12(16)9-4-3-8(17-2)6-11(9)15/h3-6H,1-2H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 329.19 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102882279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).