3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene

C7H6Br2F2S — CID 103514682

IUPAC3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
SMILESCc1sc(C(Br)C(F)F)cc1Br
InChIInChI=1S/C7H6Br2F2S/c1-3-4(8)2-5(12-3)6(9)7(10)11/h2,6-7H,1H3
InChIKeyUTXUFVXPRJODON-UHFFFAOYSA-N
MW320.00 g/mol
LogP4.52
Rot. Bonds2

About 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene

3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene (PubChem CID 103514682) has the molecular formula C7H6Br2F2S and a molecular weight of 320.00 g/mol. Its IUPAC name is 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
PubChem CID103514682
Molecular FormulaC7H6Br2F2S
Molecular Weight320.00 g/mol
Exact Mass317.85
IUPAC Name3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
SMILESCc1sc(C(Br)C(F)F)cc1Br
InChIInChI=1S/C7H6Br2F2S/c1-3-4(8)2-5(12-3)6(9)7(10)11/h2,6-7H,1H3
InChIKeyUTXUFVXPRJODON-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.00
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
3-bromo-5-[bromo-(3,4,5-trifluorophenyl)methyl]-2-methylthiophene
CID 102835931
3-bromo-5-[bromo-(3,5-dibromophenyl)methyl]-2-methylthiophene
CID 107981023
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
CID 102835926
3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
CID 107965052
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835836
3-bromo-5-[bromo-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835829
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742
5-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-3-bromo-2-methylthiophene
CID 102836034

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene?
The IUPAC name of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene (CID 103514682) is 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene?
The canonical SMILES for 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene is Cc1sc(C(Br)C(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene?
The InChIKey is UTXUFVXPRJODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F2S/c1-3-4(8)2-5(12-3)6(9)7(10)11/h2,6-7H,1H3.
What are the key properties of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene?
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene has a molecular weight of 320.00 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene is sourced from PubChem (CID 103514682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).