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

C7H11FS — CID 59712825

IUPAC5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene
SMILESCCC1C=C(F)C(C)S1
InChIInChI=1S/C7H11FS/c1-3-6-4-7(8)5(2)9-6/h4-6H,3H2,1-2H3
InChIKeyUUAWAGPPURZMRN-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.75
Rot. Bonds1

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

5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene (PubChem CID 59712825) has the molecular formula C7H11FS and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene
PubChem CID59712825
Molecular FormulaC7H11FS
Molecular Weight146.23 g/mol
Exact Mass146.06
IUPAC Name5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene
SMILESCCC1C=C(F)C(C)S1
InChIInChI=1S/C7H11FS/c1-3-6-4-7(8)5(2)9-6/h4-6H,3H2,1-2H3
InChIKeyUUAWAGPPURZMRN-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene?
The IUPAC name of 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene (CID 59712825) is 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene.
What is the SMILES notation for 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene?
The canonical SMILES for 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene is CCC1C=C(F)C(C)S1.
What is the InChIKey of 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene?
The InChIKey is UUAWAGPPURZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FS/c1-3-6-4-7(8)5(2)9-6/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene?
5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene has a molecular weight of 146.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-2-methyl-2,5-dihydrothiophene is sourced from PubChem (CID 59712825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).