3-bromo-2-(trifluoromethyl)thiophene

C5H2BrF3S — CID 26596534

IUPAC3-bromo-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1sccc1Br
InChIInChI=1S/C5H2BrF3S/c6-3-1-2-10-4(3)5(7,8)9/h1-2H
InChIKeyWAEYJGSTKDPCSW-UHFFFAOYSA-N
MW231.04 g/mol
LogP3.53
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)thiophene

3-bromo-2-(trifluoromethyl)thiophene (PubChem CID 26596534) has the molecular formula C5H2BrF3S and a molecular weight of 231.04 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)thiophene
PubChem CID26596534
Molecular FormulaC5H2BrF3S
Molecular Weight231.04 g/mol
Exact Mass229.90
IUPAC Name3-bromo-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1sccc1Br
InChIInChI=1S/C5H2BrF3S/c6-3-1-2-10-4(3)5(7,8)9/h1-2H
InChIKeyWAEYJGSTKDPCSW-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)thiophene?
The IUPAC name of 3-bromo-2-(trifluoromethyl)thiophene (CID 26596534) is 3-bromo-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)thiophene?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)thiophene is FC(F)(F)c1sccc1Br.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)thiophene?
The InChIKey is WAEYJGSTKDPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3S/c6-3-1-2-10-4(3)5(7,8)9/h1-2H.
What are the key properties of 3-bromo-2-(trifluoromethyl)thiophene?
3-bromo-2-(trifluoromethyl)thiophene has a molecular weight of 231.04 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 26596534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).