2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone

C24H12F6O2S2 — CID 88992992

IUPAC2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone
SMILESO=C(c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1)C(F)(F)F
InChIInChI=1S/C24H12F6O2S2/c25-23(26,27)21(31)15-5-1-13(2-6-15)17-9-11-19(33-17)20-12-10-18(34-20)14-3-7-16(8-4-14)22(32)24(28,29)30/h1-12H
InChIKeySTPKAEFGPFBKQM-UHFFFAOYSA-N
MW510.48 g/mol
LogP8.30
Rot. Bonds5

About 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone

2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone (PubChem CID 88992992) has the molecular formula C24H12F6O2S2 and a molecular weight of 510.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone
PubChem CID88992992
Molecular FormulaC24H12F6O2S2
Molecular Weight510.48 g/mol
Exact Mass510.02
IUPAC Name2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone
SMILESO=C(c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1)C(F)(F)F
InChIInChI=1S/C24H12F6O2S2/c25-23(26,27)21(31)15-5-1-13(2-6-15)17-9-11-19(33-17)20-12-10-18(34-20)14-3-7-16(8-4-14)22(32)24(28,29)30/h1-12H
InChIKeySTPKAEFGPFBKQM-UHFFFAOYSA-N
XLogP8.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone (CID 88992992) is 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone is O=C(c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone?
The InChIKey is STPKAEFGPFBKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6O2S2/c25-23(26,27)21(31)15-5-1-13(2-6-15)17-9-11-19(33-17)20-12-10-18(34-20)14-3-7-16(8-4-14)22(32)24(28,29)30/h1-12H.
What are the key properties of 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone?
2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone has a molecular weight of 510.48 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[5-[5-[4-(2,2,2-trifluoroacetyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethanone is sourced from PubChem (CID 88992992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).