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

C20H17F3S — CID 170293808

IUPAC2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2c(F)cc(-c3ccc(CCF)cc3)cc2F)s1
InChIInChI=1S/C20H17F3S/c1-2-16-7-8-19(24-16)20-17(22)11-15(12-18(20)23)14-5-3-13(4-6-14)9-10-21/h3-8,11-12H,2,9-10H2,1H3
InChIKeyFOSYWCQBUALPLU-UHFFFAOYSA-N
MW346.42 g/mol
LogP6.43
Rot. Bonds5

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

2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene (PubChem CID 170293808) has the molecular formula C20H17F3S and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene
PubChem CID170293808
Molecular FormulaC20H17F3S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2c(F)cc(-c3ccc(CCF)cc3)cc2F)s1
InChIInChI=1S/C20H17F3S/c1-2-16-7-8-19(24-16)20-17(22)11-15(12-18(20)23)14-5-3-13(4-6-14)9-10-21/h3-8,11-12H,2,9-10H2,1H3
InChIKeyFOSYWCQBUALPLU-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.42
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene
CID 169290393
2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene
CID 174339632
2-ethenyl-5-[4-(4-ethylphenyl)-2,6-difluorophenyl]thiophene
CID 169290392
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022
2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
CID 170655021
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1,3-difluoro-5-[4-(7-fluoroheptyl)phenyl]-2-(4-methylphenyl)benzene
CID 20663476
2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 166999874
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 58160698
2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene
CID 177128982
2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 166999789

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene?
The IUPAC name of 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene (CID 170293808) is 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene.
What is the SMILES notation for 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene?
The canonical SMILES for 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene is CCc1ccc(-c2c(F)cc(-c3ccc(CCF)cc3)cc2F)s1.
What is the InChIKey of 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene?
The InChIKey is FOSYWCQBUALPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3S/c1-2-16-7-8-19(24-16)20-17(22)11-15(12-18(20)23)14-5-3-13(4-6-14)9-10-21/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene?
2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene has a molecular weight of 346.42 g/mol, XLogP of 6.43, 5 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-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene is sourced from PubChem (CID 170293808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).