3-fluoro-4-methylthiophene

C5H5FS — CID 54250212

IUPAC3-fluoro-4-methylthiophene
SMILESCc1cscc1F
InChIInChI=1S/C5H5FS/c1-4-2-7-3-5(4)6/h2-3H,1H3
InChIKeyFFPVDVUUWOOXJG-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.20
Rot. Bonds

About 3-fluoro-4-methylthiophene

3-fluoro-4-methylthiophene (PubChem CID 54250212) has the molecular formula C5H5FS and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-fluoro-4-methylthiophene.

Molecular Properties

Compound Name3-fluoro-4-methylthiophene
PubChem CID54250212
Molecular FormulaC5H5FS
Molecular Weight116.16 g/mol
Exact Mass116.01
IUPAC Name3-fluoro-4-methylthiophene
SMILESCc1cscc1F
InChIInChI=1S/C5H5FS/c1-4-2-7-3-5(4)6/h2-3H,1H3
InChIKeyFFPVDVUUWOOXJG-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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Related Compounds

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CID 22572180
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CID 54552142
CID 54552142
CID 21732092
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CID 130969019
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CID 68504621
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CID 12204654
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CID 15640922
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CID 57315363
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CID 117736427
CID 117736427

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylthiophene?
The IUPAC name of 3-fluoro-4-methylthiophene (CID 54250212) is 3-fluoro-4-methylthiophene.
What is the SMILES notation for 3-fluoro-4-methylthiophene?
The canonical SMILES for 3-fluoro-4-methylthiophene is Cc1cscc1F.
What is the InChIKey of 3-fluoro-4-methylthiophene?
The InChIKey is FFPVDVUUWOOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FS/c1-4-2-7-3-5(4)6/h2-3H,1H3.
What are the key properties of 3-fluoro-4-methylthiophene?
3-fluoro-4-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 3-fluoro-4-methylthiophene is sourced from PubChem (CID 54250212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).