3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid

C7H5BrF2O2S — CID 116838346

IUPAC3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid
SMILESO=C(O)CC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C7H5BrF2O2S/c8-5-2-1-4(13-5)7(9,10)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyUFWGGVDNQMBJCB-UHFFFAOYSA-N
MW271.08 g/mol
LogP3.08
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid

3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid (PubChem CID 116838346) has the molecular formula C7H5BrF2O2S and a molecular weight of 271.08 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid
PubChem CID116838346
Molecular FormulaC7H5BrF2O2S
Molecular Weight271.08 g/mol
Exact Mass269.92
IUPAC Name3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid
SMILESO=C(O)CC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C7H5BrF2O2S/c8-5-2-1-4(13-5)7(9,10)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyUFWGGVDNQMBJCB-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromothiophen-2-yl)-3-hydroxybutanoic acid
CID 82049863
2-bromo-5-(1,1-difluoropropyl)thiophene
CID 116841242
2-bromo-5-(1,1-difluoroethyl)thiophene
CID 116841527
3-methyl-3-[5-(trifluoromethyl)thiophen-2-yl]butanoic acid
CID 68906860
ethyl 2-(5-bromothiophen-2-yl)-3,3,3-trifluoro-2-trimethylsilyloxypropanoate
CID 178130730
3-(5-bromothiophen-2-yl)-2,2-difluoro-3-oxopropanoic acid
CID 130501681
3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 84670441
2-(5-bromothiophen-2-yl)-2,2-dihydroxyacetaldehyde
CID 87921162
3-amino-3-(5-methylthiophen-2-yl)butanoic acid
CID 55271157
3,3-difluoro-3-(2,3,6-trifluorophenyl)propanoic acid
CID 162738111
3,3-difluoro-3-(2-methylphenyl)propanoic acid
CID 84669252
1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
CID 126985911

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid?
The IUPAC name of 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid (CID 116838346) is 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid is O=C(O)CC(F)(F)c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid?
The InChIKey is UFWGGVDNQMBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O2S/c8-5-2-1-4(13-5)7(9,10)3-6(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid?
3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid has a molecular weight of 271.08 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid is sourced from PubChem (CID 116838346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).