1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone

C24H15F3O2S2 — CID 59601132

IUPAC1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone
SMILESCC(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1
InChIInChI=1S/C24H15F3O2S2/c1-14(28)15-2-4-16(5-3-15)19-10-12-21(30-19)22-13-11-20(31-22)17-6-8-18(9-7-17)23(29)24(25,26)27/h2-13H,1H3
InChIKeyMXJFIAOHIPCQSV-UHFFFAOYSA-N
MW456.51 g/mol
LogP7.76
Rot. Bonds5

About 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone

1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone (PubChem CID 59601132) has the molecular formula C24H15F3O2S2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone
PubChem CID59601132
Molecular FormulaC24H15F3O2S2
Molecular Weight456.51 g/mol
Exact Mass456.05
IUPAC Name1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone
SMILESCC(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1
InChIInChI=1S/C24H15F3O2S2/c1-14(28)15-2-4-16(5-3-15)19-10-12-21(30-19)22-13-11-20(31-22)17-6-8-18(9-7-17)23(29)24(25,26)27/h2-13H,1H3
InChIKeyMXJFIAOHIPCQSV-UHFFFAOYSA-N
XLogP7.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone (CID 59601132) is 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone is CC(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1.
What is the InChIKey of 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is MXJFIAOHIPCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3O2S2/c1-14(28)15-2-4-16(5-3-15)19-10-12-21(30-19)22-13-11-20(31-22)17-6-8-18(9-7-17)23(29)24(25,26)27/h2-13H,1H3.
What are the key properties of 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone?
1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 456.51 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-(4-acetylphenyl)thiophen-2-yl]thiophen-2-yl]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 59601132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).