2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene

C23H23FS — CID 166999874

IUPAC2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(CCC4CC4)s3)c(F)c2)cc1
InChIInChI=1S/C23H23FS/c1-2-16-5-8-18(9-6-16)19-10-13-21(22(24)15-19)23-14-12-20(25-23)11-7-17-3-4-17/h5-6,8-10,12-15,17H,2-4,7,11H2,1H3
InChIKeyDKSQKOGBOJJGFL-UHFFFAOYSA-N
MW350.50 g/mol
LogP7.13
Rot. Bonds6

About 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene

2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene (PubChem CID 166999874) has the molecular formula C23H23FS and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
PubChem CID166999874
Molecular FormulaC23H23FS
Molecular Weight350.50 g/mol
Exact Mass350.15
IUPAC Name2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(CCC4CC4)s3)c(F)c2)cc1
InChIInChI=1S/C23H23FS/c1-2-16-5-8-18(9-6-16)19-10-13-21(22(24)15-19)23-14-12-20(25-23)11-7-17-3-4-17/h5-6,8-10,12-15,17H,2-4,7,11H2,1H3
InChIKeyDKSQKOGBOJJGFL-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
CID 170655021
2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene
CID 166999870
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
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
2-cyclobutyloxy-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999811
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 143775701
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 144658300
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323
2-chloro-5-[4-[2-[4-(4-ethylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 54266929
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
CID 140843040

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene?
The IUPAC name of 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene (CID 166999874) is 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene.
What is the SMILES notation for 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene?
The canonical SMILES for 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene is CCc1ccc(-c2ccc(-c3ccc(CCC4CC4)s3)c(F)c2)cc1.
What is the InChIKey of 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene?
The InChIKey is DKSQKOGBOJJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FS/c1-2-16-5-8-18(9-6-16)19-10-13-21(22(24)15-19)23-14-12-20(25-23)11-7-17-3-4-17/h5-6,8-10,12-15,17H,2-4,7,11H2,1H3.
What are the key properties of 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene?
2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene has a molecular weight of 350.50 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene is sourced from PubChem (CID 166999874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).