2-[chloro-(4-fluorophenyl)methyl]thiophene

C11H8ClFS — CID 19802549

IUPAC2-[chloro-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cccs2)cc1
InChIInChI=1S/C11H8ClFS/c12-11(10-2-1-7-14-10)8-3-5-9(13)6-4-8/h1-7,11H
InChIKeyJIQFKUZKASWYIH-UHFFFAOYSA-N
MW226.70 g/mol
LogP4.22
Rot. Bonds2

About 2-[chloro-(4-fluorophenyl)methyl]thiophene

2-[chloro-(4-fluorophenyl)methyl]thiophene (PubChem CID 19802549) has the molecular formula C11H8ClFS and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-[chloro-(4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[chloro-(4-fluorophenyl)methyl]thiophene
PubChem CID19802549
Molecular FormulaC11H8ClFS
Molecular Weight226.70 g/mol
Exact Mass226.00
IUPAC Name2-[chloro-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cccs2)cc1
InChIInChI=1S/C11H8ClFS/c12-11(10-2-1-7-14-10)8-3-5-9(13)6-4-8/h1-7,11H
InChIKeyJIQFKUZKASWYIH-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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 2-[chloro-(4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-[chloro-(4-fluorophenyl)methyl]thiophene (CID 19802549) is 2-[chloro-(4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-[chloro-(4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-[chloro-(4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2cccs2)cc1.
What is the InChIKey of 2-[chloro-(4-fluorophenyl)methyl]thiophene?
The InChIKey is JIQFKUZKASWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFS/c12-11(10-2-1-7-14-10)8-3-5-9(13)6-4-8/h1-7,11H.
What are the key properties of 2-[chloro-(4-fluorophenyl)methyl]thiophene?
2-[chloro-(4-fluorophenyl)methyl]thiophene has a molecular weight of 226.70 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 19802549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).