2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid

C16H10ClFO2S2 — CID 142689227

IUPAC2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(F)cc2)sc1-c1ccc(Cl)s1
InChIInChI=1S/C16H10ClFO2S2/c17-14-6-5-12(21-14)16-10(8-15(19)20)7-13(22-16)9-1-3-11(18)4-2-9/h1-7H,8H2,(H,19,20)
InChIKeyFCLFYIWZCYZFTJ-UHFFFAOYSA-N
MW352.84 g/mol
LogP5.56
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid

2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid (PubChem CID 142689227) has the molecular formula C16H10ClFO2S2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
PubChem CID142689227
Molecular FormulaC16H10ClFO2S2
Molecular Weight352.84 g/mol
Exact Mass351.98
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(F)cc2)sc1-c1ccc(Cl)s1
InChIInChI=1S/C16H10ClFO2S2/c17-14-6-5-12(21-14)16-10(8-15(19)20)7-13(22-16)9-1-3-11(18)4-2-9/h1-7H,8H2,(H,19,20)
InChIKeyFCLFYIWZCYZFTJ-UHFFFAOYSA-N
XLogP5.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[5-[3-(carboxymethyl)-5-(4-methylsulfanylphenyl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylsulfanylphenyl)thiophen-3-yl]acetic acid
CID 144508779
2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
CID 84756415
2-[5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-2-[5-[5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139417
2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid
CID 121380598
3-[2-[5-[3-(2-carboxyethyl)-5-[5-[4-(carboxymethyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[4-(carboxymethyl)phenyl]thiophen-2-yl]thiophen-3-yl]propanoic acid
CID 71231198
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate
CID 67547495
2-[3-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-[5-(3-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]acetic acid
CID 121380597
4-[5-[4-(2-carboxyethyl)-5-[5-[3-(2-carboxyethyl)-5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 71231222
5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-isocyanothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 155642691
2-[5-[5-[4-(carboxymethyl)-5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]thiophen-2-yl]-2-[3-(hydroxymethyl)phenyl]thiophen-3-yl]acetic acid
CID 71231168
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid (CID 142689227) is 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid is O=C(O)Cc1cc(-c2ccc(F)cc2)sc1-c1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
The InChIKey is FCLFYIWZCYZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2S2/c17-14-6-5-12(21-14)16-10(8-15(19)20)7-13(22-16)9-1-3-11(18)4-2-9/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid has a molecular weight of 352.84 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 142689227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).