2-chloro-4-(fluoromethyl)-3-methylthiophene

C6H6ClFS — CID 163455277

IUPAC2-chloro-4-(fluoromethyl)-3-methylthiophene
SMILESCc1c(CF)csc1Cl
InChIInChI=1S/C6H6ClFS/c1-4-5(2-8)3-9-6(4)7/h3H,2H2,1H3
InChIKeyBJXOQBQABIWMLH-UHFFFAOYSA-N
MW164.63 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-4-(fluoromethyl)-3-methylthiophene

2-chloro-4-(fluoromethyl)-3-methylthiophene (PubChem CID 163455277) has the molecular formula C6H6ClFS and a molecular weight of 164.63 g/mol. Its IUPAC name is 2-chloro-4-(fluoromethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-4-(fluoromethyl)-3-methylthiophene
PubChem CID163455277
Molecular FormulaC6H6ClFS
Molecular Weight164.63 g/mol
Exact Mass163.99
IUPAC Name2-chloro-4-(fluoromethyl)-3-methylthiophene
SMILESCc1c(CF)csc1Cl
InChIInChI=1S/C6H6ClFS/c1-4-5(2-8)3-9-6(4)7/h3H,2H2,1H3
InChIKeyBJXOQBQABIWMLH-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(fluoromethyl)-3-methylthiophene?
The IUPAC name of 2-chloro-4-(fluoromethyl)-3-methylthiophene (CID 163455277) is 2-chloro-4-(fluoromethyl)-3-methylthiophene.
What is the SMILES notation for 2-chloro-4-(fluoromethyl)-3-methylthiophene?
The canonical SMILES for 2-chloro-4-(fluoromethyl)-3-methylthiophene is Cc1c(CF)csc1Cl.
What is the InChIKey of 2-chloro-4-(fluoromethyl)-3-methylthiophene?
The InChIKey is BJXOQBQABIWMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFS/c1-4-5(2-8)3-9-6(4)7/h3H,2H2,1H3.
What are the key properties of 2-chloro-4-(fluoromethyl)-3-methylthiophene?
2-chloro-4-(fluoromethyl)-3-methylthiophene has a molecular weight of 164.63 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(fluoromethyl)-3-methylthiophene is sourced from PubChem (CID 163455277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).