3-bromo-2-(difluoromethyl)thiophene

C5H3BrF2S — CID 71651264

IUPAC3-bromo-2-(difluoromethyl)thiophene
SMILESFC(F)c1sccc1Br
InChIInChI=1S/C5H3BrF2S/c6-3-1-2-9-4(3)5(7)8/h1-2,5H
InChIKeyRVVRTZUMHJRUIS-UHFFFAOYSA-N
MW213.05 g/mol
LogP3.45
Rot. Bonds1

About 3-bromo-2-(difluoromethyl)thiophene

3-bromo-2-(difluoromethyl)thiophene (PubChem CID 71651264) has the molecular formula C5H3BrF2S and a molecular weight of 213.05 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)thiophene
PubChem CID71651264
Molecular FormulaC5H3BrF2S
Molecular Weight213.05 g/mol
Exact Mass211.91
IUPAC Name3-bromo-2-(difluoromethyl)thiophene
SMILESFC(F)c1sccc1Br
InChIInChI=1S/C5H3BrF2S/c6-3-1-2-9-4(3)5(7)8/h1-2,5H
InChIKeyRVVRTZUMHJRUIS-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.05
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)thiophene?
The IUPAC name of 3-bromo-2-(difluoromethyl)thiophene (CID 71651264) is 3-bromo-2-(difluoromethyl)thiophene.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)thiophene?
The canonical SMILES for 3-bromo-2-(difluoromethyl)thiophene is FC(F)c1sccc1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)thiophene?
The InChIKey is RVVRTZUMHJRUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF2S/c6-3-1-2-9-4(3)5(7)8/h1-2,5H.
What are the key properties of 3-bromo-2-(difluoromethyl)thiophene?
3-bromo-2-(difluoromethyl)thiophene has a molecular weight of 213.05 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)thiophene is sourced from PubChem (CID 71651264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).