2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid

C24H14F2O4S5 — CID 67991315

IUPAC2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(F)s2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CC(=O)O)s1
InChIInChI=1S/C24H14F2O4S5/c25-19-5-3-13(32-19)17-7-11(9-21(27)28)23(34-17)15-1-2-16(31-15)24-12(10-22(29)30)8-18(35-24)14-4-6-20(26)33-14/h1-8H,9-10H2,(H,27,28)(H,29,30)
InChIKeyRZVFDNBLDXMBCO-UHFFFAOYSA-N
MW564.70 g/mol
LogP8.19
Rot. Bonds8

About 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid

2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid (PubChem CID 67991315) has the molecular formula C24H14F2O4S5 and a molecular weight of 564.70 g/mol. Its IUPAC name is 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid
PubChem CID67991315
Molecular FormulaC24H14F2O4S5
Molecular Weight564.70 g/mol
Exact Mass563.95
IUPAC Name2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(F)s2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CC(=O)O)s1
InChIInChI=1S/C24H14F2O4S5/c25-19-5-3-13(32-19)17-7-11(9-21(27)28)23(34-17)15-1-2-16(31-15)24-12(10-22(29)30)8-18(35-24)14-4-6-20(26)33-14/h1-8H,9-10H2,(H,27,28)(H,29,30)
InChIKeyRZVFDNBLDXMBCO-UHFFFAOYSA-N
XLogP8.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.70
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid (CID 67991315) is 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid is O=C(O)Cc1cc(-c2ccc(F)s2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid?
The InChIKey is RZVFDNBLDXMBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2O4S5/c25-19-5-3-13(32-19)17-7-11(9-21(27)28)23(34-17)15-1-2-16(31-15)24-12(10-22(29)30)8-18(35-24)14-4-6-20(26)33-14/h1-8H,9-10H2,(H,27,28)(H,29,30).
What are the key properties of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid?
2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid has a molecular weight of 564.70 g/mol, XLogP of 8.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-fluorothiophen-2-yl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 67991315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).