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

C7H11FS — CID 146392760

IUPAC4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene
SMILESCCC1=C(C)SCC1F
InChIInChI=1S/C7H11FS/c1-3-6-5(2)9-4-7(6)8/h7H,3-4H2,1-2H3
InChIKeyHQWUTDBXONXBGN-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.76
Rot. Bonds1

About 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene

4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene (PubChem CID 146392760) has the molecular formula C7H11FS and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene
PubChem CID146392760
Molecular FormulaC7H11FS
Molecular Weight146.23 g/mol
Exact Mass146.06
IUPAC Name4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene
SMILESCCC1=C(C)SCC1F
InChIInChI=1S/C7H11FS/c1-3-6-5(2)9-4-7(6)8/h7H,3-4H2,1-2H3
InChIKeyHQWUTDBXONXBGN-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-Dimethyl-2,3-dihydrothiophene
CID 14041180
4-Ethyl-5-methyl-2,3-dihydrothiophene
CID 15709709
2-Ethyl-4-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 117849093
3-Fluoro-4,5-dimethyl-2,3-dihydrothiophene
CID 146392990
2,3,4,5-Tetramethyl-2,5-dihydrothiophene
CID 58150625
3-Ethyl-2,4-dimethyl-2,5-dihydrothiophene
CID 85922488
3-Propan-2-ylidenethiolane
CID 88988796
2,4,5-Trimethyl-2,3-dihydrothiophene
CID 89241187
3,4-Diethyl-2,5-dihydrothiophene
CID 89276724
5-Ethyl-4-methyl-2,3-dihydrothiophene
CID 89296742
4-Ethyl-2,3-dimethyl-2,5-dihydrothiophene
CID 117807969
2,3,4-Trimethyl-2,5-dihydrothiophene
CID 117824977

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene?
The IUPAC name of 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene (CID 146392760) is 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene?
The canonical SMILES for 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene is CCC1=C(C)SCC1F.
What is the InChIKey of 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene?
The InChIKey is HQWUTDBXONXBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FS/c1-3-6-5(2)9-4-7(6)8/h7H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene?
4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene has a molecular weight of 146.23 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 146392760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).