4-(chloromethyl)-2-(4-fluorophenyl)thiophene

C11H8ClFS — CID 10242824

IUPAC4-(chloromethyl)-2-(4-fluorophenyl)thiophene
SMILESFc1ccc(-c2cc(CCl)cs2)cc1
InChIInChI=1S/C11H8ClFS/c12-6-8-5-11(14-7-8)9-1-3-10(13)4-2-9/h1-5,7H,6H2
InChIKeyATNPRTPNJKCKGM-UHFFFAOYSA-N
MW226.70 g/mol
LogP4.29
Rot. Bonds2

About 4-(chloromethyl)-2-(4-fluorophenyl)thiophene

4-(chloromethyl)-2-(4-fluorophenyl)thiophene (PubChem CID 10242824) has the molecular formula C11H8ClFS and a molecular weight of 226.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-fluorophenyl)thiophene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-fluorophenyl)thiophene
PubChem CID10242824
Molecular FormulaC11H8ClFS
Molecular Weight226.70 g/mol
Exact Mass226.00
IUPAC Name4-(chloromethyl)-2-(4-fluorophenyl)thiophene
SMILESFc1ccc(-c2cc(CCl)cs2)cc1
InChIInChI=1S/C11H8ClFS/c12-6-8-5-11(14-7-8)9-1-3-10(13)4-2-9/h1-5,7H,6H2
InChIKeyATNPRTPNJKCKGM-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 54.29
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 4-(chloromethyl)-2-(4-fluorophenyl)thiophene?
The IUPAC name of 4-(chloromethyl)-2-(4-fluorophenyl)thiophene (CID 10242824) is 4-(chloromethyl)-2-(4-fluorophenyl)thiophene.
What is the SMILES notation for 4-(chloromethyl)-2-(4-fluorophenyl)thiophene?
The canonical SMILES for 4-(chloromethyl)-2-(4-fluorophenyl)thiophene is Fc1ccc(-c2cc(CCl)cs2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-fluorophenyl)thiophene?
The InChIKey is ATNPRTPNJKCKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFS/c12-6-8-5-11(14-7-8)9-1-3-10(13)4-2-9/h1-5,7H,6H2.
What are the key properties of 4-(chloromethyl)-2-(4-fluorophenyl)thiophene?
4-(chloromethyl)-2-(4-fluorophenyl)thiophene has a molecular weight of 226.70 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-fluorophenyl)thiophene is sourced from PubChem (CID 10242824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).