3-fluoro-2,4-dimethyl-2,3-dihydrothiophene

C6H9FS — CID 89339542

IUPAC3-fluoro-2,4-dimethyl-2,3-dihydrothiophene
SMILESCC1=CSC(C)C1F
InChIInChI=1S/C6H9FS/c1-4-3-8-5(2)6(4)7/h3,5-6H,1-2H3
InChIKeyIKJZECLNALUPQW-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.36
Rot. Bonds

About 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene

3-fluoro-2,4-dimethyl-2,3-dihydrothiophene (PubChem CID 89339542) has the molecular formula C6H9FS and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-fluoro-2,4-dimethyl-2,3-dihydrothiophene
PubChem CID89339542
Molecular FormulaC6H9FS
Molecular Weight132.20 g/mol
Exact Mass132.04
IUPAC Name3-fluoro-2,4-dimethyl-2,3-dihydrothiophene
SMILESCC1=CSC(C)C1F
InChIInChI=1S/C6H9FS/c1-4-3-8-5(2)6(4)7/h3,5-6H,1-2H3
InChIKeyIKJZECLNALUPQW-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene?
The IUPAC name of 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene (CID 89339542) is 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene?
The canonical SMILES for 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene is CC1=CSC(C)C1F.
What is the InChIKey of 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene?
The InChIKey is IKJZECLNALUPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FS/c1-4-3-8-5(2)6(4)7/h3,5-6H,1-2H3.
What are the key properties of 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene?
3-fluoro-2,4-dimethyl-2,3-dihydrothiophene has a molecular weight of 132.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 89339542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).