2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene

C17H20F2OS — CID 143775668

IUPAC2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene
SMILESCCCCCc1ccc(-c2ccc(OCC)c(F)c2F)s1
InChIInChI=1S/C17H20F2OS/c1-3-5-6-7-12-8-11-15(21-12)13-9-10-14(20-4-2)17(19)16(13)18/h8-11H,3-7H2,1-2H3
InChIKeyXWLPPUCFAUBRIY-UHFFFAOYSA-N
MW310.41 g/mol
LogP5.82
Rot. Bonds7

About 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene

2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene (PubChem CID 143775668) has the molecular formula C17H20F2OS and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene
PubChem CID143775668
Molecular FormulaC17H20F2OS
Molecular Weight310.41 g/mol
Exact Mass310.12
IUPAC Name2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene
SMILESCCCCCc1ccc(-c2ccc(OCC)c(F)c2F)s1
InChIInChI=1S/C17H20F2OS/c1-3-5-6-7-12-8-11-15(21-12)13-9-10-14(20-4-2)17(19)16(13)18/h8-11H,3-7H2,1-2H3
InChIKeyXWLPPUCFAUBRIY-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene?
The IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene (CID 143775668) is 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene.
What is the SMILES notation for 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene?
The canonical SMILES for 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene is CCCCCc1ccc(-c2ccc(OCC)c(F)c2F)s1.
What is the InChIKey of 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene?
The InChIKey is XWLPPUCFAUBRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2OS/c1-3-5-6-7-12-8-11-15(21-12)13-9-10-14(20-4-2)17(19)16(13)18/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene?
2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene has a molecular weight of 310.41 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-difluorophenyl)-5-pentylthiophene is sourced from PubChem (CID 143775668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).