3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene

C7H4BrF3S — CID 167031645

IUPAC3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene
SMILESC=Cc1sc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H4BrF3S/c1-2-5-4(8)3-6(12-5)7(9,10)11/h2-3H,1H2
InChIKeyCRZGQQSODJXSNO-UHFFFAOYSA-N
MW257.07 g/mol
LogP4.17
Rot. Bonds1

About 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene

3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene (PubChem CID 167031645) has the molecular formula C7H4BrF3S and a molecular weight of 257.07 g/mol. Its IUPAC name is 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene
PubChem CID167031645
Molecular FormulaC7H4BrF3S
Molecular Weight257.07 g/mol
Exact Mass255.92
IUPAC Name3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene
SMILESC=Cc1sc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H4BrF3S/c1-2-5-4(8)3-6(12-5)7(9,10)11/h2-3H,1H2
InChIKeyCRZGQQSODJXSNO-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde
CID 82380305
1-bromo-2,3,5-trifluoro-4-(trifluoromethyl)benzene
CID 169336513
2-methyl-5-(trifluoromethyl)thiophen-3-ol
CID 67949228
2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
CID 155858670
1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
CID 162536983
2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene
CID 101107032
2-(trifluoromethyl)thieno[2,3-c]thiophene
CID 162620972
1-bromo-2,3,4-trifluoro-5-(trifluoromethyl)benzene
CID 87725654
5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene
CID 141427748
4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde
CID 153338645
2-bromo-5-(1,1-difluoropropyl)thiophene
CID 116841242
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene?
The IUPAC name of 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene (CID 167031645) is 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene is C=Cc1sc(C(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene?
The InChIKey is CRZGQQSODJXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3S/c1-2-5-4(8)3-6(12-5)7(9,10)11/h2-3H,1H2.
What are the key properties of 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene?
3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene has a molecular weight of 257.07 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 167031645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).