5-(3,5-difluorophenyl)thiophene-3-carboxylic acid

C11H6F2O2S — CID 79683650

IUPAC5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C11H6F2O2S/c12-8-1-6(2-9(13)4-8)10-3-7(5-16-10)11(14)15/h1-5H,(H,14,15)
InChIKeyYTPBSVYKMAGYIV-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.39
Rot. Bonds2

About 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid

5-(3,5-difluorophenyl)thiophene-3-carboxylic acid (PubChem CID 79683650) has the molecular formula C11H6F2O2S and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
PubChem CID79683650
Molecular FormulaC11H6F2O2S
Molecular Weight240.23 g/mol
Exact Mass240.01
IUPAC Name5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C11H6F2O2S/c12-8-1-6(2-9(13)4-8)10-3-7(5-16-10)11(14)15/h1-5H,(H,14,15)
InChIKeyYTPBSVYKMAGYIV-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355771
5-(4-benzylphenyl)thiophene-3-carboxylic acid
CID 79692056
5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
CID 79684046
5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid
CID 167982028
5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid
CID 106763133
5-quinolin-6-ylthiophene-3-carboxylic acid
CID 81224740
5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
5-(2-bromophenyl)thiophene-3-carboxylic acid
CID 115503539
5-bromothiophene-3-carboxylic acid;(2-fluoro-4-pyridinyl)boronic acid;5-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid
CID 162186980
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)thiophene-3-carboxylic acid
CID 79684700

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid (CID 79683650) is 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid?
The InChIKey is YTPBSVYKMAGYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2O2S/c12-8-1-6(2-9(13)4-8)10-3-7(5-16-10)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid?
5-(3,5-difluorophenyl)thiophene-3-carboxylic acid has a molecular weight of 240.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 79683650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).