2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene

C7H6BrF3S — CID 155858670

IUPAC2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
SMILESCc1cc(C(F)(F)F)sc1CBr
InChIInChI=1S/C7H6BrF3S/c1-4-2-6(7(9,10)11)12-5(4)3-8/h2H,3H2,1H3
InChIKeyGGEGBZMZCJMDEV-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.97
Rot. Bonds1

About 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene

2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene (PubChem CID 155858670) has the molecular formula C7H6BrF3S and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
PubChem CID155858670
Molecular FormulaC7H6BrF3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
SMILESCc1cc(C(F)(F)F)sc1CBr
InChIInChI=1S/C7H6BrF3S/c1-4-2-6(7(9,10)11)12-5(4)3-8/h2H,3H2,1H3
InChIKeyGGEGBZMZCJMDEV-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.97
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-methyl-5-(trifluoromethyl)thiophen-3-ol
CID 67949228
2-methoxy-3-methyl-5-(trifluoromethyl)thiophene
CID 174536661
4-(bromomethyl)-2-(trifluoromethyl)thiophene
CID 90300123
5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 171016848
1-(bromomethyl)-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135743210
[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol
CID 66642495
1-bromo-5-(bromomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 171009269
5-(bromomethyl)-1,3-dimethyl-2-(2,2,2-trifluoroethoxy)benzene
CID 43141520
2-bromo-5-tert-butyl-3-methylthiophene
CID 146378134
3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene
CID 167031645
1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
CID 178006007

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene (CID 155858670) is 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene is Cc1cc(C(F)(F)F)sc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene?
The InChIKey is GGEGBZMZCJMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3S/c1-4-2-6(7(9,10)11)12-5(4)3-8/h2H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene?
2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene has a molecular weight of 259.09 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 155858670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).