2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene

C21H20F2S — CID 170655022

IUPAC2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CC)s3)c(F)c2F)cc1
InChIInChI=1S/C21H20F2S/c1-3-5-14-6-8-15(9-7-14)17-11-12-18(21(23)20(17)22)19-13-10-16(4-2)24-19/h6-13H,3-5H2,1-2H3
InChIKeyHFIVBGGMFVRKDQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP6.88
Rot. Bonds5

About 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene

2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene (PubChem CID 170655022) has the molecular formula C21H20F2S and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
PubChem CID170655022
Molecular FormulaC21H20F2S
Molecular Weight342.45 g/mol
Exact Mass342.13
IUPAC Name2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CC)s3)c(F)c2F)cc1
InChIInChI=1S/C21H20F2S/c1-3-5-14-6-8-15(9-7-14)17-11-12-18(21(23)20(17)22)19-13-10-16(4-2)24-19/h6-13H,3-5H2,1-2H3
InChIKeyHFIVBGGMFVRKDQ-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999651
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
CID 118390683
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 58160698
2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
CID 166999855
2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
CID 170655021
2-(cyclopropylmethyl)-5-[2,3-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 166999710
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene
CID 170293808
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene?
The IUPAC name of 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene (CID 170655022) is 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene.
What is the SMILES notation for 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene?
The canonical SMILES for 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene is CCCc1ccc(-c2ccc(-c3ccc(CC)s3)c(F)c2F)cc1.
What is the InChIKey of 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene?
The InChIKey is HFIVBGGMFVRKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2S/c1-3-5-14-6-8-15(9-7-14)17-11-12-18(21(23)20(17)22)19-13-10-16(4-2)24-19/h6-13H,3-5H2,1-2H3.
What are the key properties of 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene?
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene has a molecular weight of 342.45 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene is sourced from PubChem (CID 170655022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).