3-(chloromethyl)-4-fluorothiophene

C5H4ClFS — CID 130969019

IUPAC3-(chloromethyl)-4-fluorothiophene
SMILESFc1cscc1CCl
InChIInChI=1S/C5H4ClFS/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
InChIKeyTZEKRBAGZVHEEI-UHFFFAOYSA-N
MW150.61 g/mol
LogP2.63
Rot. Bonds1

About 3-(chloromethyl)-4-fluorothiophene

3-(chloromethyl)-4-fluorothiophene (PubChem CID 130969019) has the molecular formula C5H4ClFS and a molecular weight of 150.61 g/mol. Its IUPAC name is 3-(chloromethyl)-4-fluorothiophene.

Molecular Properties

Compound Name3-(chloromethyl)-4-fluorothiophene
PubChem CID130969019
Molecular FormulaC5H4ClFS
Molecular Weight150.61 g/mol
Exact Mass149.97
IUPAC Name3-(chloromethyl)-4-fluorothiophene
SMILESFc1cscc1CCl
InChIInChI=1S/C5H4ClFS/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
InChIKeyTZEKRBAGZVHEEI-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-fluorothiophene?
The IUPAC name of 3-(chloromethyl)-4-fluorothiophene (CID 130969019) is 3-(chloromethyl)-4-fluorothiophene.
What is the SMILES notation for 3-(chloromethyl)-4-fluorothiophene?
The canonical SMILES for 3-(chloromethyl)-4-fluorothiophene is Fc1cscc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-fluorothiophene?
The InChIKey is TZEKRBAGZVHEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFS/c6-1-4-2-8-3-5(4)7/h2-3H,1H2.
What are the key properties of 3-(chloromethyl)-4-fluorothiophene?
3-(chloromethyl)-4-fluorothiophene has a molecular weight of 150.61 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-fluorothiophene is sourced from PubChem (CID 130969019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).