3-(9-fluorononyl)-2-thiophen-2-ylthiophene

C17H23FS2 — CID 155899382

IUPAC3-(9-fluorononyl)-2-thiophen-2-ylthiophene
SMILESFCCCCCCCCCc1ccsc1-c1cccs1
InChIInChI=1S/C17H23FS2/c18-12-7-5-3-1-2-4-6-9-15-11-14-20-17(15)16-10-8-13-19-16/h8,10-11,13-14H,1-7,9,12H2
InChIKeyQSUKHIGRRBRXKH-UHFFFAOYSA-N
MW310.50 g/mol
LogP6.72
Rot. Bonds10

About 3-(9-fluorononyl)-2-thiophen-2-ylthiophene

3-(9-fluorononyl)-2-thiophen-2-ylthiophene (PubChem CID 155899382) has the molecular formula C17H23FS2 and a molecular weight of 310.50 g/mol. Its IUPAC name is 3-(9-fluorononyl)-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-(9-fluorononyl)-2-thiophen-2-ylthiophene
PubChem CID155899382
Molecular FormulaC17H23FS2
Molecular Weight310.50 g/mol
Exact Mass310.12
IUPAC Name3-(9-fluorononyl)-2-thiophen-2-ylthiophene
SMILESFCCCCCCCCCc1ccsc1-c1cccs1
InChIInChI=1S/C17H23FS2/c18-12-7-5-3-1-2-4-6-9-15-11-14-20-17(15)16-10-8-13-19-16/h8,10-11,13-14H,1-7,9,12H2
InChIKeyQSUKHIGRRBRXKH-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.50
LogP ≤ 56.72
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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Related Compounds

2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene
CID 100949175
3-propyl-2-thiophen-2-ylthiophene
CID 69104145
3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene
CID 86247160
3-pentyl-2-thiophen-2-ylthiophene;phenazine
CID 175409994
3-(4-fluorobutyl)-2-methylthiophene
CID 90141918
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxylic acid
CID 102186946
2-(4-fluorobutyl)thiophene
CID 67851736
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559

Frequently Asked Questions

What is the IUPAC name of 3-(9-fluorononyl)-2-thiophen-2-ylthiophene?
The IUPAC name of 3-(9-fluorononyl)-2-thiophen-2-ylthiophene (CID 155899382) is 3-(9-fluorononyl)-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-(9-fluorononyl)-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-(9-fluorononyl)-2-thiophen-2-ylthiophene is FCCCCCCCCCc1ccsc1-c1cccs1.
What is the InChIKey of 3-(9-fluorononyl)-2-thiophen-2-ylthiophene?
The InChIKey is QSUKHIGRRBRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FS2/c18-12-7-5-3-1-2-4-6-9-15-11-14-20-17(15)16-10-8-13-19-16/h8,10-11,13-14H,1-7,9,12H2.
What are the key properties of 3-(9-fluorononyl)-2-thiophen-2-ylthiophene?
3-(9-fluorononyl)-2-thiophen-2-ylthiophene has a molecular weight of 310.50 g/mol, XLogP of 6.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-fluorononyl)-2-thiophen-2-ylthiophene is sourced from PubChem (CID 155899382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).