2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene

C20H16F2S — CID 169290392

IUPAC2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene
SMILESC=Cc1ccc(-c2c(F)cc(-c3ccc(CC)cc3)cc2F)s1
InChIInChI=1S/C20H16F2S/c1-3-13-5-7-14(8-6-13)15-11-17(21)20(18(22)12-15)19-10-9-16(4-2)23-19/h4-12H,2-3H2,1H3
InChIKeySPLKPTDHVCUTLU-UHFFFAOYSA-N
MW326.41 g/mol
LogP6.57
Rot. Bonds4

About 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene

2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene (PubChem CID 169290392) has the molecular formula C20H16F2S and a molecular weight of 326.41 g/mol. Its IUPAC name is 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene.

Molecular Properties

Compound Name2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene
PubChem CID169290392
Molecular FormulaC20H16F2S
Molecular Weight326.41 g/mol
Exact Mass326.09
IUPAC Name2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene
SMILESC=Cc1ccc(-c2c(F)cc(-c3ccc(CC)cc3)cc2F)s1
InChIInChI=1S/C20H16F2S/c1-3-13-5-7-14(8-6-13)15-11-17(21)20(18(22)12-15)19-10-9-16(4-2)23-19/h4-12H,2-3H2,1H3
InChIKeySPLKPTDHVCUTLU-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.41
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene?
The IUPAC name of 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene (CID 169290392) is 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene.
What is the SMILES notation for 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene?
The canonical SMILES for 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene is C=Cc1ccc(-c2c(F)cc(-c3ccc(CC)cc3)cc2F)s1.
What is the InChIKey of 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene?
The InChIKey is SPLKPTDHVCUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2S/c1-3-13-5-7-14(8-6-13)15-11-17(21)20(18(22)12-15)19-10-9-16(4-2)23-19/h4-12H,2-3H2,1H3.
What are the key properties of 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene?
2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene has a molecular weight of 326.41 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene is sourced from PubChem (CID 169290392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).