2-bromo-5-(1,1-difluoroethyl)thiophene

C6H5BrF2S — CID 116841527

IUPAC2-bromo-5-(1,1-difluoroethyl)thiophene
SMILESCC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C6H5BrF2S/c1-6(8,9)4-2-3-5(7)10-4/h2-3H,1H3
InChIKeyKSQMTGVUBMXTRK-UHFFFAOYSA-N
MW227.07 g/mol
LogP3.62
Rot. Bonds1

About 2-bromo-5-(1,1-difluoroethyl)thiophene

2-bromo-5-(1,1-difluoroethyl)thiophene (PubChem CID 116841527) has the molecular formula C6H5BrF2S and a molecular weight of 227.07 g/mol. Its IUPAC name is 2-bromo-5-(1,1-difluoroethyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1,1-difluoroethyl)thiophene
PubChem CID116841527
Molecular FormulaC6H5BrF2S
Molecular Weight227.07 g/mol
Exact Mass225.93
IUPAC Name2-bromo-5-(1,1-difluoroethyl)thiophene
SMILESCC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C6H5BrF2S/c1-6(8,9)4-2-3-5(7)10-4/h2-3H,1H3
InChIKeyKSQMTGVUBMXTRK-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Bromo-2-methylthiophene
CID 96350
2-Bromo-5-methylthiophene
CID 69831
5-Bromo-5'-(tridecafluorohexyl)-2,2'-bithiophene
CID 11203820
4-Bromo-2-methylthiophene
CID 638584
3-Bromo-2,5-dimethylthiophene
CID 638585
2-Bromo-5-hexylthiophene
CID 10562418
3,5-Dibromo-2-methylthiophene
CID 122373
3-Bromo-2-ethylthiophene
CID 12174739
2-Bromo-5-bromomethylthiophene
CID 12245923
2-Bromo-5-tert-butylthiophene
CID 13170474
2,3-Dibromo-5-methylthiophene
CID 14835170
2-Bromo-5-(trifluoromethyl)thiophene
CID 26596761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1,1-difluoroethyl)thiophene?
The IUPAC name of 2-bromo-5-(1,1-difluoroethyl)thiophene (CID 116841527) is 2-bromo-5-(1,1-difluoroethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1,1-difluoroethyl)thiophene?
The canonical SMILES for 2-bromo-5-(1,1-difluoroethyl)thiophene is CC(F)(F)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1,1-difluoroethyl)thiophene?
The InChIKey is KSQMTGVUBMXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2S/c1-6(8,9)4-2-3-5(7)10-4/h2-3H,1H3.
What are the key properties of 2-bromo-5-(1,1-difluoroethyl)thiophene?
2-bromo-5-(1,1-difluoroethyl)thiophene has a molecular weight of 227.07 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1,1-difluoroethyl)thiophene is sourced from PubChem (CID 116841527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).