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

C15H16F2S — CID 118390698

IUPAC2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene
SMILESCCCc1ccc(-c2sc(CC)c(F)c2F)cc1
InChIInChI=1S/C15H16F2S/c1-3-5-10-6-8-11(9-7-10)15-14(17)13(16)12(4-2)18-15/h6-9H,3-5H2,1-2H3
InChIKeyUUNJFMSGKIGCTQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.21
Rot. Bonds4

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

2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene (PubChem CID 118390698) has the molecular formula C15H16F2S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene.

Molecular Properties

Compound Name2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene
PubChem CID118390698
Molecular FormulaC15H16F2S
Molecular Weight266.36 g/mol
Exact Mass266.09
IUPAC Name2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene
SMILESCCCc1ccc(-c2sc(CC)c(F)c2F)cc1
InChIInChI=1S/C15H16F2S/c1-3-5-10-6-8-11(9-7-10)15-14(17)13(16)12(4-2)18-15/h6-9H,3-5H2,1-2H3
InChIKeyUUNJFMSGKIGCTQ-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene?
The IUPAC name of 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene (CID 118390698) is 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene.
What is the SMILES notation for 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene?
The canonical SMILES for 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene is CCCc1ccc(-c2sc(CC)c(F)c2F)cc1.
What is the InChIKey of 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene?
The InChIKey is UUNJFMSGKIGCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2S/c1-3-5-10-6-8-11(9-7-10)15-14(17)13(16)12(4-2)18-15/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene?
2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene has a molecular weight of 266.36 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene is sourced from PubChem (CID 118390698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).