2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene

C12H10ClFS — CID 61082525

IUPAC2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2cccc(F)c2)s1
InChIInChI=1S/C12H10ClFS/c1-8-5-6-11(15-8)12(13)9-3-2-4-10(14)7-9/h2-7,12H,1H3
InChIKeyWIWSVFWNPUHRTR-UHFFFAOYSA-N
MW240.73 g/mol
LogP4.52
Rot. Bonds2

About 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene

2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene (PubChem CID 61082525) has the molecular formula C12H10ClFS and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
PubChem CID61082525
Molecular FormulaC12H10ClFS
Molecular Weight240.73 g/mol
Exact Mass240.02
IUPAC Name2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2cccc(F)c2)s1
InChIInChI=1S/C12H10ClFS/c1-8-5-6-11(15-8)12(13)9-3-2-4-10(14)7-9/h2-7,12H,1H3
InChIKeyWIWSVFWNPUHRTR-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 54.52
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-(3-fluorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene (CID 61082525) is 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene is Cc1ccc(C(Cl)c2cccc(F)c2)s1.
What is the InChIKey of 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene?
The InChIKey is WIWSVFWNPUHRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFS/c1-8-5-6-11(15-8)12(13)9-3-2-4-10(14)7-9/h2-7,12H,1H3.
What are the key properties of 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene?
2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene has a molecular weight of 240.73 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 61082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).