2-(4-fluorobutyl)thiophene

C8H11FS — CID 67851736

IUPAC2-(4-fluorobutyl)thiophene
SMILESFCCCCc1cccs1
InChIInChI=1S/C8H11FS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2
InChIKeyPVZGXAMCERHQAO-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-fluorobutyl)thiophene

2-(4-fluorobutyl)thiophene (PubChem CID 67851736) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(4-fluorobutyl)thiophene.

Molecular Properties

Compound Name2-(4-fluorobutyl)thiophene
PubChem CID67851736
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name2-(4-fluorobutyl)thiophene
SMILESFCCCCc1cccs1
InChIInChI=1S/C8H11FS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2
InChIKeyPVZGXAMCERHQAO-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-thiophen-2-yldecan-1-amine
CID 22115195
10-thiophen-2-yldecan-1-ol
CID 22992199
ethane;2-pentylthiophene
CID 143883800
2-(5-chloropentyl)thiophene
CID 4912993
20-thiophen-2-ylicosane-1-thiol
CID 15444594
3-thiophen-2-ylpropan-1-ol
CID 13109866
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
methane;2-undecylthiophene
CID 175504380
trimethoxy(5-thiophen-2-ylpentyl)silane
CID 139649685
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
2-butylthiophene;methanamine
CID 143080300
2-(8-methoxyoctyl)thiophene
CID 139537837

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutyl)thiophene?
The IUPAC name of 2-(4-fluorobutyl)thiophene (CID 67851736) is 2-(4-fluorobutyl)thiophene.
What is the SMILES notation for 2-(4-fluorobutyl)thiophene?
The canonical SMILES for 2-(4-fluorobutyl)thiophene is FCCCCc1cccs1.
What is the InChIKey of 2-(4-fluorobutyl)thiophene?
The InChIKey is PVZGXAMCERHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2.
What are the key properties of 2-(4-fluorobutyl)thiophene?
2-(4-fluorobutyl)thiophene has a molecular weight of 158.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutyl)thiophene is sourced from PubChem (CID 67851736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).