2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene

C14H14ClFS — CID 79455066

IUPAC2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
SMILESFc1ccccc1C(CCl)CCc1cccs1
InChIInChI=1S/C14H14ClFS/c15-10-11(7-8-12-4-3-9-17-12)13-5-1-2-6-14(13)16/h1-6,9,11H,7-8,10H2
InChIKeyLYTSENREPIZUOA-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.84
Rot. Bonds5

About 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene

2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene (PubChem CID 79455066) has the molecular formula C14H14ClFS and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene.

Molecular Properties

Compound Name2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
PubChem CID79455066
Molecular FormulaC14H14ClFS
Molecular Weight268.78 g/mol
Exact Mass268.05
IUPAC Name2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
SMILESFc1ccccc1C(CCl)CCc1cccs1
InChIInChI=1S/C14H14ClFS/c15-10-11(7-8-12-4-3-9-17-12)13-5-1-2-6-14(13)16/h1-6,9,11H,7-8,10H2
InChIKeyLYTSENREPIZUOA-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 79435475
1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene
CID 79454225
1-(1-chloro-4-methylsulfonylbutan-2-yl)-2-fluorobenzene
CID 79454374
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
2-[4-bromo-3-(2-methylphenyl)butyl]thiophene
CID 79418362
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475888

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene?
The IUPAC name of 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene (CID 79455066) is 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene.
What is the SMILES notation for 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene?
The canonical SMILES for 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene is Fc1ccccc1C(CCl)CCc1cccs1.
What is the InChIKey of 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene?
The InChIKey is LYTSENREPIZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFS/c15-10-11(7-8-12-4-3-9-17-12)13-5-1-2-6-14(13)16/h1-6,9,11H,7-8,10H2.
What are the key properties of 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene?
2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene has a molecular weight of 268.78 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene is sourced from PubChem (CID 79455066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).