4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid

C11H6BrFO2S — CID 83234334

IUPAC4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C11H6BrFO2S/c12-9-3-6(1-2-10(9)13)7-4-16-5-8(7)11(14)15/h1-5H,(H,14,15)
InChIKeyVUMLTTJUZAFYHI-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.01
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid

4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid (PubChem CID 83234334) has the molecular formula C11H6BrFO2S and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid
PubChem CID83234334
Molecular FormulaC11H6BrFO2S
Molecular Weight301.14 g/mol
Exact Mass299.93
IUPAC Name4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C11H6BrFO2S/c12-9-3-6(1-2-10(9)13)7-4-16-5-8(7)11(14)15/h1-5H,(H,14,15)
InChIKeyVUMLTTJUZAFYHI-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
CID 82130354
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
4-pyridin-4-ylthiophene-3-carboxylic acid
CID 83235084
5-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 62913159
3-(3-bromo-4-fluorophenyl)-1-ethylpyrazole-4-carboxylic acid
CID 62913906
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395
2-fluoro-5-(1,3-thiazol-4-yl)benzoic acid
CID 130878805
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 82810054

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid (CID 83234334) is 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid is O=C(O)c1cscc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid?
The InChIKey is VUMLTTJUZAFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFO2S/c12-9-3-6(1-2-10(9)13)7-4-16-5-8(7)11(14)15/h1-5H,(H,14,15).
What are the key properties of 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid?
4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid has a molecular weight of 301.14 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 83234334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).