3-bromo-2-(1-fluoroethenyl)-5-methylthiophene

C7H6BrFS — CID 142907298

IUPAC3-bromo-2-(1-fluoroethenyl)-5-methylthiophene
SMILESC=C(F)c1sc(C)cc1Br
InChIInChI=1S/C7H6BrFS/c1-4-3-6(8)7(10-4)5(2)9/h3H,2H2,1H3
InChIKeyLUDZVDHNFCVIJV-UHFFFAOYSA-N
MW221.09 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene

3-bromo-2-(1-fluoroethenyl)-5-methylthiophene (PubChem CID 142907298) has the molecular formula C7H6BrFS and a molecular weight of 221.09 g/mol. Its IUPAC name is 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-(1-fluoroethenyl)-5-methylthiophene
PubChem CID142907298
Molecular FormulaC7H6BrFS
Molecular Weight221.09 g/mol
Exact Mass219.94
IUPAC Name3-bromo-2-(1-fluoroethenyl)-5-methylthiophene
SMILESC=C(F)c1sc(C)cc1Br
InChIInChI=1S/C7H6BrFS/c1-4-3-6(8)7(10-4)5(2)9/h3H,2H2,1H3
InChIKeyLUDZVDHNFCVIJV-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone
CID 65279850
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
1-(3-bromo-5-methylthiophen-2-yl)-2-propylpentan-1-one
CID 82984781
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanone
CID 65279107
1-(3-bromo-5-methylthiophen-2-yl)decan-1-one
CID 65449693
1-(3-bromo-5-methylthiophen-2-yl)octan-1-one
CID 65279641
3-bromo-2-chloro-5-methylthiophene
CID 20732074
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone
CID 103162515
(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
CID 65279480
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882279
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclohexylethanone
CID 65279322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene?
The IUPAC name of 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene (CID 142907298) is 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene?
The canonical SMILES for 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene is C=C(F)c1sc(C)cc1Br.
What is the InChIKey of 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene?
The InChIKey is LUDZVDHNFCVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFS/c1-4-3-6(8)7(10-4)5(2)9/h3H,2H2,1H3.
What are the key properties of 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene?
3-bromo-2-(1-fluoroethenyl)-5-methylthiophene has a molecular weight of 221.09 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-fluoroethenyl)-5-methylthiophene is sourced from PubChem (CID 142907298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).