2-fluoro-5-methyl-2,3-dihydrothiophene

C5H7FS — CID 146392773

IUPAC2-fluoro-5-methyl-2,3-dihydrothiophene
SMILESCC1=CCC(F)S1
InChIInChI=1S/C5H7FS/c1-4-2-3-5(6)7-4/h2,5H,3H2,1H3
InChIKeyWHARGCIYDJAYCC-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.32
Rot. Bonds

About 2-fluoro-5-methyl-2,3-dihydrothiophene

2-fluoro-5-methyl-2,3-dihydrothiophene (PubChem CID 146392773) has the molecular formula C5H7FS and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-fluoro-5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-fluoro-5-methyl-2,3-dihydrothiophene
PubChem CID146392773
Molecular FormulaC5H7FS
Molecular Weight118.18 g/mol
Exact Mass118.03
IUPAC Name2-fluoro-5-methyl-2,3-dihydrothiophene
SMILESCC1=CCC(F)S1
InChIInChI=1S/C5H7FS/c1-4-2-3-5(6)7-4/h2,5H,3H2,1H3
InChIKeyWHARGCIYDJAYCC-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-2,3-dihydrothiophene?
The IUPAC name of 2-fluoro-5-methyl-2,3-dihydrothiophene (CID 146392773) is 2-fluoro-5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-fluoro-5-methyl-2,3-dihydrothiophene?
The canonical SMILES for 2-fluoro-5-methyl-2,3-dihydrothiophene is CC1=CCC(F)S1.
What is the InChIKey of 2-fluoro-5-methyl-2,3-dihydrothiophene?
The InChIKey is WHARGCIYDJAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FS/c1-4-2-3-5(6)7-4/h2,5H,3H2,1H3.
What are the key properties of 2-fluoro-5-methyl-2,3-dihydrothiophene?
2-fluoro-5-methyl-2,3-dihydrothiophene has a molecular weight of 118.18 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 146392773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).