2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene

C26H31FS — CID 170655021

IUPAC2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)s3)c(F)c2)cc1
InChIInChI=1S/C26H31FS/c1-3-5-7-9-20-11-13-21(14-12-20)22-15-17-24(25(27)19-22)26-18-16-23(28-26)10-8-6-4-2/h11-19H,3-10H2,1-2H3
InChIKeyFFFDOYSIAOSAPC-UHFFFAOYSA-N
MW394.60 g/mol
LogP8.69
Rot. Bonds10

About 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene

2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene (PubChem CID 170655021) has the molecular formula C26H31FS and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene.

Molecular Properties

Compound Name2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
PubChem CID170655021
Molecular FormulaC26H31FS
Molecular Weight394.60 g/mol
Exact Mass394.21
IUPAC Name2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)s3)c(F)c2)cc1
InChIInChI=1S/C26H31FS/c1-3-5-7-9-20-11-13-21(14-12-20)22-15-17-24(25(27)19-22)26-18-16-23(28-26)10-8-6-4-2/h11-19H,3-10H2,1-2H3
InChIKeyFFFDOYSIAOSAPC-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 58160698
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 166999874
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
N-[[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methyl]butan-1-amine
CID 162060270
1-[4-(4-tert-butylphenyl)-2-fluorophenyl]-4-(4-decylphenyl)-2,3-difluorobenzene
CID 101217410
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene?
The IUPAC name of 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene (CID 170655021) is 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene.
What is the SMILES notation for 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene?
The canonical SMILES for 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene is CCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)s3)c(F)c2)cc1.
What is the InChIKey of 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene?
The InChIKey is FFFDOYSIAOSAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FS/c1-3-5-7-9-20-11-13-21(14-12-20)22-15-17-24(25(27)19-22)26-18-16-23(28-26)10-8-6-4-2/h11-19H,3-10H2,1-2H3.
What are the key properties of 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene?
2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene has a molecular weight of 394.60 g/mol, XLogP of 8.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene is sourced from PubChem (CID 170655021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).