4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid

C11H6ClFO2S — CID 57403733

IUPAC4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C11H6ClFO2S/c12-10-4-3-9(16-10)7-2-1-6(11(14)15)5-8(7)13/h1-5H,(H,14,15)
InChIKeyZHLCLSLBDSQBMN-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.91
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid

4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid (PubChem CID 57403733) has the molecular formula C11H6ClFO2S and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid
PubChem CID57403733
Molecular FormulaC11H6ClFO2S
Molecular Weight256.69 g/mol
Exact Mass255.98
IUPAC Name4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C11H6ClFO2S/c12-10-4-3-9(16-10)7-2-1-6(11(14)15)5-8(7)13/h1-5H,(H,14,15)
InChIKeyZHLCLSLBDSQBMN-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
5-(1,1'-Biphenyl-4-yl)thiophene-2-carboxylic acid
CID 7130760
6-Chloro-8-fluoro-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
CID 127026072
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
CID 750330
3-Chloro-1-benzothiophene-2-carboxylic acid
CID 307964
5-(4-Chlorophenyl)thiophene-2-carboxylic acid
CID 613486
3-Chloro-6-methyl-1-benzothiophene-2-carboxylic acid
CID 815185
3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid
CID 24896624
4-[5-(Trifluoroacetyl)-2-thienyl]benzoic acid
CID 44541232
4-(((4-Chlorophenyl)thio)methyl)benzoic acid
CID 366613

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid (CID 57403733) is 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid is O=C(O)c1ccc(-c2ccc(Cl)s2)c(F)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid?
The InChIKey is ZHLCLSLBDSQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFO2S/c12-10-4-3-9(16-10)7-2-1-6(11(14)15)5-8(7)13/h1-5H,(H,14,15).
What are the key properties of 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid?
4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid has a molecular weight of 256.69 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 57403733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).