3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene

C15H19F7S — CID 19795128

IUPAC3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene
SMILESCCCCCCCCc1cscc1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F7S/c1-2-3-4-5-6-7-8-11-9-23-10-12(11)13(16,17)14(18,19)15(20,21)22/h9-10H,2-8H2,1H3
InChIKeyPHHMFCSFRYSBML-UHFFFAOYSA-N
MW364.37 g/mol
LogP6.94
Rot. Bonds9

About 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene

3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene (PubChem CID 19795128) has the molecular formula C15H19F7S and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene
PubChem CID19795128
Molecular FormulaC15H19F7S
Molecular Weight364.37 g/mol
Exact Mass364.11
IUPAC Name3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene
SMILESCCCCCCCCc1cscc1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F7S/c1-2-3-4-5-6-7-8-11-9-23-10-12(11)13(16,17)14(18,19)15(20,21)22/h9-10H,2-8H2,1H3
InChIKeyPHHMFCSFRYSBML-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene?
The IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene (CID 19795128) is 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene.
What is the SMILES notation for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene?
The canonical SMILES for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene is CCCCCCCCc1cscc1C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene?
The InChIKey is PHHMFCSFRYSBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F7S/c1-2-3-4-5-6-7-8-11-9-23-10-12(11)13(16,17)14(18,19)15(20,21)22/h9-10H,2-8H2,1H3.
What are the key properties of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene?
3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene has a molecular weight of 364.37 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-octylthiophene is sourced from PubChem (CID 19795128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).