2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene

C16H11F3S2 — CID 163635945

IUPAC2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene
SMILESFC(F)(F)Cc1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11F3S2/c17-16(18,19)10-11-3-5-12(6-4-11)13-7-8-15(21-13)14-2-1-9-20-14/h1-9H,10H2
InChIKeyIACCSKDGDNAZDR-UHFFFAOYSA-N
MW324.39 g/mol
LogP6.25
Rot. Bonds3

About 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene

2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene (PubChem CID 163635945) has the molecular formula C16H11F3S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene
PubChem CID163635945
Molecular FormulaC16H11F3S2
Molecular Weight324.39 g/mol
Exact Mass324.03
IUPAC Name2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene
SMILESFC(F)(F)Cc1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11F3S2/c17-16(18,19)10-11-3-5-12(6-4-11)13-7-8-15(21-13)14-2-1-9-20-14/h1-9H,10H2
InChIKeyIACCSKDGDNAZDR-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169103820
[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
CID 101473229
4-N-(4-aminophenyl)-4-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 102055550
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CID 141257815
2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol
CID 59863802
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
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2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
2-[2,6-bis(5-thiophen-2-ylthiophen-2-yl)-10-(2-triethylsilylethynyl)anthracen-9-yl]ethynyl-triethylsilane
CID 102581509
2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2741010

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene?
The IUPAC name of 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene (CID 163635945) is 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene.
What is the SMILES notation for 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene?
The canonical SMILES for 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene is FC(F)(F)Cc1ccc(-c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene?
The InChIKey is IACCSKDGDNAZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3S2/c17-16(18,19)10-11-3-5-12(6-4-11)13-7-8-15(21-13)14-2-1-9-20-14/h1-9H,10H2.
What are the key properties of 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene?
2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene has a molecular weight of 324.39 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene is sourced from PubChem (CID 163635945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).