3-chloro-2-fluoro-4-methylthiophene

C5H4ClFS — CID 138494994

IUPAC3-chloro-2-fluoro-4-methylthiophene
SMILESCc1csc(F)c1Cl
InChIInChI=1S/C5H4ClFS/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChIKeyDZVSUYGGGXCESY-UHFFFAOYSA-N
MW150.61 g/mol
LogP2.85
Rot. Bonds

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

3-chloro-2-fluoro-4-methylthiophene (PubChem CID 138494994) has the molecular formula C5H4ClFS and a molecular weight of 150.61 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-methylthiophene.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-methylthiophene
PubChem CID138494994
Molecular FormulaC5H4ClFS
Molecular Weight150.61 g/mol
Exact Mass149.97
IUPAC Name3-chloro-2-fluoro-4-methylthiophene
SMILESCc1csc(F)c1Cl
InChIInChI=1S/C5H4ClFS/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChIKeyDZVSUYGGGXCESY-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 3-chloro-2-fluoro-4-methylthiophene?
The IUPAC name of 3-chloro-2-fluoro-4-methylthiophene (CID 138494994) is 3-chloro-2-fluoro-4-methylthiophene.
What is the SMILES notation for 3-chloro-2-fluoro-4-methylthiophene?
The canonical SMILES for 3-chloro-2-fluoro-4-methylthiophene is Cc1csc(F)c1Cl.
What is the InChIKey of 3-chloro-2-fluoro-4-methylthiophene?
The InChIKey is DZVSUYGGGXCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFS/c1-3-2-8-5(7)4(3)6/h2H,1H3.
What are the key properties of 3-chloro-2-fluoro-4-methylthiophene?
3-chloro-2-fluoro-4-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 3-chloro-2-fluoro-4-methylthiophene is sourced from PubChem (CID 138494994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).