2-fluoro-3-methylthiophene

C5H5FS — CID 54552142

IUPAC2-fluoro-3-methylthiophene
SMILESCc1ccsc1F
InChIInChI=1S/C5H5FS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKeyZKQAUOHPYCDCKN-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.20
Rot. Bonds

About 2-fluoro-3-methylthiophene

2-fluoro-3-methylthiophene (PubChem CID 54552142) has the molecular formula C5H5FS and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-fluoro-3-methylthiophene.

Molecular Properties

Compound Name2-fluoro-3-methylthiophene
PubChem CID54552142
Molecular FormulaC5H5FS
Molecular Weight116.16 g/mol
Exact Mass116.01
IUPAC Name2-fluoro-3-methylthiophene
SMILESCc1ccsc1F
InChIInChI=1S/C5H5FS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKeyZKQAUOHPYCDCKN-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylthiophene?
The IUPAC name of 2-fluoro-3-methylthiophene (CID 54552142) is 2-fluoro-3-methylthiophene.
What is the SMILES notation for 2-fluoro-3-methylthiophene?
The canonical SMILES for 2-fluoro-3-methylthiophene is Cc1ccsc1F.
What is the InChIKey of 2-fluoro-3-methylthiophene?
The InChIKey is ZKQAUOHPYCDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FS/c1-4-2-3-7-5(4)6/h2-3H,1H3.
What are the key properties of 2-fluoro-3-methylthiophene?
2-fluoro-3-methylthiophene has a molecular weight of 116.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylthiophene is sourced from PubChem (CID 54552142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).