3-fluoro-4,5-dimethyl-2,3-dihydrothiophene

C6H9FS — CID 146392990

IUPAC3-fluoro-4,5-dimethyl-2,3-dihydrothiophene
SMILESCC1=C(C)C(F)CS1
InChIInChI=1S/C6H9FS/c1-4-5(2)8-3-6(4)7/h6H,3H2,1-2H3
InChIKeyXZBKBXMUQFGRCT-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.37
Rot. Bonds

About 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene

3-fluoro-4,5-dimethyl-2,3-dihydrothiophene (PubChem CID 146392990) has the molecular formula C6H9FS and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-fluoro-4,5-dimethyl-2,3-dihydrothiophene
PubChem CID146392990
Molecular FormulaC6H9FS
Molecular Weight132.20 g/mol
Exact Mass132.04
IUPAC Name3-fluoro-4,5-dimethyl-2,3-dihydrothiophene
SMILESCC1=C(C)C(F)CS1
InChIInChI=1S/C6H9FS/c1-4-5(2)8-3-6(4)7/h6H,3H2,1-2H3
InChIKeyXZBKBXMUQFGRCT-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-2,3-dihydrothiophene
CID 14041180
4-Ethyl-5-methyl-2,3-dihydrothiophene
CID 15709709
3,4-Dimethyl-5,6-dihydro-2h-thiopyran
CID 23530091
2-Fluoro-5-propan-2-yl-2,3-dihydrothiophene
CID 126565366
4-Ethyl-3-fluoro-5-methyl-2,3-dihydrothiophene
CID 146392760
3,5-dimethyl-5-(trifluoromethyl)-2H-thiophene
CID 85748412
2,3,4,5-Tetramethyl-2,5-dihydrothiophene
CID 58150625
4-Methyl-5-propan-2-yl-2,3-dihydrothiophene
CID 68074080
3-Ethyl-2,4-dimethyl-2,5-dihydrothiophene
CID 85922488
3-Propan-2-ylidenethiolane
CID 88988796
4,5-Dimethyl-1,1-dimethylidene-2,3-dihydrothiophene
CID 89005498
2,4,5-Trimethyl-2,3-dihydrothiophene
CID 89241187

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene?
The IUPAC name of 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene (CID 146392990) is 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene?
The canonical SMILES for 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene is CC1=C(C)C(F)CS1.
What is the InChIKey of 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene?
The InChIKey is XZBKBXMUQFGRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FS/c1-4-5(2)8-3-6(4)7/h6H,3H2,1-2H3.
What are the key properties of 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene?
3-fluoro-4,5-dimethyl-2,3-dihydrothiophene has a molecular weight of 132.20 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,5-dimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 146392990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).