2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene

C21H20F2S — CID 169290393

IUPAC2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2c(F)cc(-c3ccc(C(C)C)cc3)cc2F)s1
InChIInChI=1S/C21H20F2S/c1-4-17-9-10-20(24-17)21-18(22)11-16(12-19(21)23)15-7-5-14(6-8-15)13(2)3/h5-13H,4H2,1-3H3
InChIKeyRXGMMEADGWVGRI-UHFFFAOYSA-N
MW342.45 g/mol
LogP7.05
Rot. Bonds4

About 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene

2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene (PubChem CID 169290393) has the molecular formula C21H20F2S and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene
PubChem CID169290393
Molecular FormulaC21H20F2S
Molecular Weight342.45 g/mol
Exact Mass342.13
IUPAC Name2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2c(F)cc(-c3ccc(C(C)C)cc3)cc2F)s1
InChIInChI=1S/C21H20F2S/c1-4-17-9-10-20(24-17)21-18(22)11-16(12-19(21)23)15-7-5-14(6-8-15)13(2)3/h5-13H,4H2,1-3H3
InChIKeyRXGMMEADGWVGRI-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene?
The IUPAC name of 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene (CID 169290393) is 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene.
What is the SMILES notation for 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene?
The canonical SMILES for 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene is CCc1ccc(-c2c(F)cc(-c3ccc(C(C)C)cc3)cc2F)s1.
What is the InChIKey of 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene?
The InChIKey is RXGMMEADGWVGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2S/c1-4-17-9-10-20(24-17)21-18(22)11-16(12-19(21)23)15-7-5-14(6-8-15)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene?
2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene has a molecular weight of 342.45 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene is sourced from PubChem (CID 169290393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).