2-chloro-4-fluoro-3-methylthiophene

C5H4ClFS — CID 166808486

IUPAC2-chloro-4-fluoro-3-methylthiophene
SMILESCc1c(F)csc1Cl
InChIInChI=1S/C5H4ClFS/c1-3-4(7)2-8-5(3)6/h2H,1H3
InChIKeyQYYHLHBNNDIUIZ-UHFFFAOYSA-N
MW150.61 g/mol
LogP2.85
Rot. Bonds

About 2-chloro-4-fluoro-3-methylthiophene

2-chloro-4-fluoro-3-methylthiophene (PubChem CID 166808486) has the molecular formula C5H4ClFS and a molecular weight of 150.61 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-methylthiophene
PubChem CID166808486
Molecular FormulaC5H4ClFS
Molecular Weight150.61 g/mol
Exact Mass149.97
IUPAC Name2-chloro-4-fluoro-3-methylthiophene
SMILESCc1c(F)csc1Cl
InChIInChI=1S/C5H4ClFS/c1-3-4(7)2-8-5(3)6/h2H,1H3
InChIKeyQYYHLHBNNDIUIZ-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-methylthiophene?
The IUPAC name of 2-chloro-4-fluoro-3-methylthiophene (CID 166808486) is 2-chloro-4-fluoro-3-methylthiophene.
What is the SMILES notation for 2-chloro-4-fluoro-3-methylthiophene?
The canonical SMILES for 2-chloro-4-fluoro-3-methylthiophene is Cc1c(F)csc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-3-methylthiophene?
The InChIKey is QYYHLHBNNDIUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFS/c1-3-4(7)2-8-5(3)6/h2H,1H3.
What are the key properties of 2-chloro-4-fluoro-3-methylthiophene?
2-chloro-4-fluoro-3-methylthiophene has a molecular weight of 150.61 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-methylthiophene is sourced from PubChem (CID 166808486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).