3,4-difluoro-2,5-bis(4-propylphenyl)thiophene

C22H22F2S — CID 118390683

IUPAC3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
SMILESCCCc1ccc(-c2sc(-c3ccc(CCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C22H22F2S/c1-3-5-15-7-11-17(12-8-15)21-19(23)20(24)22(25-21)18-13-9-16(6-4-2)10-14-18/h7-14H,3-6H2,1-2H3
InChIKeyWCXGKCXQAXBXKJ-UHFFFAOYSA-N
MW356.48 g/mol
LogP7.27
Rot. Bonds6

About 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene

3,4-difluoro-2,5-bis(4-propylphenyl)thiophene (PubChem CID 118390683) has the molecular formula C22H22F2S and a molecular weight of 356.48 g/mol. Its IUPAC name is 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene.

Molecular Properties

Compound Name3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
PubChem CID118390683
Molecular FormulaC22H22F2S
Molecular Weight356.48 g/mol
Exact Mass356.14
IUPAC Name3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
SMILESCCCc1ccc(-c2sc(-c3ccc(CCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C22H22F2S/c1-3-5-15-7-11-17(12-8-15)21-19(23)20(24)22(25-21)18-13-9-16(6-4-2)10-14-18/h7-14H,3-6H2,1-2H3
InChIKeyWCXGKCXQAXBXKJ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.48
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene
CID 118390698
1-fluoro-4-propylbenzene
CID 2737505
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022
[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
CID 114997571
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene?
The IUPAC name of 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene (CID 118390683) is 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene.
What is the SMILES notation for 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene?
The canonical SMILES for 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene is CCCc1ccc(-c2sc(-c3ccc(CCC)cc3)c(F)c2F)cc1.
What is the InChIKey of 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene?
The InChIKey is WCXGKCXQAXBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2S/c1-3-5-15-7-11-17(12-8-15)21-19(23)20(24)22(25-21)18-13-9-16(6-4-2)10-14-18/h7-14H,3-6H2,1-2H3.
What are the key properties of 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene?
3,4-difluoro-2,5-bis(4-propylphenyl)thiophene has a molecular weight of 356.48 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,5-bis(4-propylphenyl)thiophene is sourced from PubChem (CID 118390683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).