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

C7H6BrClF2S — CID 103514612

IUPAC2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene
SMILESCc1cc(C(Cl)C(F)F)sc1Br
InChIInChI=1S/C7H6BrClF2S/c1-3-2-4(12-6(3)8)5(9)7(10)11/h2,5,7H,1H3
InChIKeyOIEXQGUEULSRDA-UHFFFAOYSA-N
MW275.55 g/mol
LogP4.36
Rot. Bonds2

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

2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene (PubChem CID 103514612) has the molecular formula C7H6BrClF2S and a molecular weight of 275.55 g/mol. Its IUPAC name is 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene
PubChem CID103514612
Molecular FormulaC7H6BrClF2S
Molecular Weight275.55 g/mol
Exact Mass273.90
IUPAC Name2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene
SMILESCc1cc(C(Cl)C(F)F)sc1Br
InChIInChI=1S/C7H6BrClF2S/c1-3-2-4(12-6(3)8)5(9)7(10)11/h2,5,7H,1H3
InChIKeyOIEXQGUEULSRDA-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.55
LogP ≤ 54.36
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

2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 79991257
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
2-bromo-5-[chloro-(4-propan-2-ylphenyl)methyl]-3-methylthiophene
CID 79996665
2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene
CID 115484725
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347
2-bromo-5-[(2-bromo-4-fluorophenyl)-chloromethyl]-3-methylthiophene
CID 79991791
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
3-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 79991587
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene?
The IUPAC name of 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene (CID 103514612) is 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene?
The canonical SMILES for 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene is Cc1cc(C(Cl)C(F)F)sc1Br.
What is the InChIKey of 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene?
The InChIKey is OIEXQGUEULSRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2S/c1-3-2-4(12-6(3)8)5(9)7(10)11/h2,5,7H,1H3.
What are the key properties of 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene?
2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene has a molecular weight of 275.55 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene is sourced from PubChem (CID 103514612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).