3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene

C8H9FS — CID 129168677

IUPAC3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene
SMILESC/C=C(/F)c1cscc1C
InChIInChI=1S/C8H9FS/c1-3-8(9)7-5-10-4-6(7)2/h3-5H,1-2H3/b8-3+
InChIKeyXGJXQOJDTGFCHS-FPYGCLRLSA-N
MW156.22 g/mol
LogP3.39
Rot. Bonds1

About 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene

3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene (PubChem CID 129168677) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene.

Molecular Properties

Compound Name3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene
PubChem CID129168677
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene
SMILESC/C=C(/F)c1cscc1C
InChIInChI=1S/C8H9FS/c1-3-8(9)7-5-10-4-6(7)2/h3-5H,1-2H3/b8-3+
InChIKeyXGJXQOJDTGFCHS-FPYGCLRLSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene?
The IUPAC name of 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene (CID 129168677) is 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene.
What is the SMILES notation for 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene?
The canonical SMILES for 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene is C/C=C(/F)c1cscc1C.
What is the InChIKey of 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene?
The InChIKey is XGJXQOJDTGFCHS-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H9FS/c1-3-8(9)7-5-10-4-6(7)2/h3-5H,1-2H3/b8-3+.
What are the key properties of 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene?
3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene has a molecular weight of 156.22 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-fluoroprop-1-enyl]-4-methylthiophene is sourced from PubChem (CID 129168677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).