3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene

C15H18F2OS2 — CID 134451308

IUPAC3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene
SMILESCCCCCCc1ccc(-c2sc(OC)c(F)c2F)s1
InChIInChI=1S/C15H18F2OS2/c1-3-4-5-6-7-10-8-9-11(19-10)14-12(16)13(17)15(18-2)20-14/h8-9H,3-7H2,1-2H3
InChIKeyPUMNREIDVRFGEB-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.89
Rot. Bonds7

About 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene

3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene (PubChem CID 134451308) has the molecular formula C15H18F2OS2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene.

Molecular Properties

Compound Name3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene
PubChem CID134451308
Molecular FormulaC15H18F2OS2
Molecular Weight316.44 g/mol
Exact Mass316.08
IUPAC Name3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene
SMILESCCCCCCc1ccc(-c2sc(OC)c(F)c2F)s1
InChIInChI=1S/C15H18F2OS2/c1-3-4-5-6-7-10-8-9-11(19-10)14-12(16)13(17)15(18-2)20-14/h8-9H,3-7H2,1-2H3
InChIKeyPUMNREIDVRFGEB-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
2,5-diheptylthiophene
CID 607114
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
diethyl 2,5-difluoro-3,6-bis(5-hexylthiophen-2-yl)benzene-1,4-dicarboxylate
CID 158835848
3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58825513
2-dodecyl-5-ethylthiophene
CID 528251
3,4-bis(5-dodecylthiophen-2-yl)furan-2,5-dione
CID 122398344
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene?
The IUPAC name of 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene (CID 134451308) is 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene.
What is the SMILES notation for 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene?
The canonical SMILES for 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene is CCCCCCc1ccc(-c2sc(OC)c(F)c2F)s1.
What is the InChIKey of 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene?
The InChIKey is PUMNREIDVRFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2OS2/c1-3-4-5-6-7-10-8-9-11(19-10)14-12(16)13(17)15(18-2)20-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene?
3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene has a molecular weight of 316.44 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene is sourced from PubChem (CID 134451308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).