2,4-difluoro-3-methylthiophene

C5H4F2S — CID 138495007

IUPAC2,4-difluoro-3-methylthiophene
SMILESCc1c(F)csc1F
InChIInChI=1S/C5H4F2S/c1-3-4(6)2-8-5(3)7/h2H,1H3
InChIKeyJLKWYIKEOGYLBK-UHFFFAOYSA-N
MW134.15 g/mol
LogP2.33
Rot. Bonds

About 2,4-difluoro-3-methylthiophene

2,4-difluoro-3-methylthiophene (PubChem CID 138495007) has the molecular formula C5H4F2S and a molecular weight of 134.15 g/mol. Its IUPAC name is 2,4-difluoro-3-methylthiophene.

Molecular Properties

Compound Name2,4-difluoro-3-methylthiophene
PubChem CID138495007
Molecular FormulaC5H4F2S
Molecular Weight134.15 g/mol
Exact Mass134.00
IUPAC Name2,4-difluoro-3-methylthiophene
SMILESCc1c(F)csc1F
InChIInChI=1S/C5H4F2S/c1-3-4(6)2-8-5(3)7/h2H,1H3
InChIKeyJLKWYIKEOGYLBK-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dimethylthiophene
CID 79089
3,4-Difluorothiophene
CID 21766889
Thiophene, 3,4-bis(trifluoromethyl)-
CID 13040458
2,3,4-Trifluorothiophene
CID 17975616
2-Fluoro-3-methylthiophene
CID 54552142
2-Fluoro-4-methylthiophene
CID 21732092
3-(Bromomethyl)-2,4-difluorothiophene
CID 20397695
3-Fluoro-4-methylthiophene
CID 54250212
3-Methyl-4-(trifluoromethyl)thiophene
CID 57315363
3-(2-Fluoroethynyl)-4-methylthiophene
CID 117736427
3-Chloro-2-fluoro-4-methylthiophene
CID 138494994
2-Fluoro-3,4-dimethylthiophene
CID 138494996

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-methylthiophene?
The IUPAC name of 2,4-difluoro-3-methylthiophene (CID 138495007) is 2,4-difluoro-3-methylthiophene.
What is the SMILES notation for 2,4-difluoro-3-methylthiophene?
The canonical SMILES for 2,4-difluoro-3-methylthiophene is Cc1c(F)csc1F.
What is the InChIKey of 2,4-difluoro-3-methylthiophene?
The InChIKey is JLKWYIKEOGYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2S/c1-3-4(6)2-8-5(3)7/h2H,1H3.
What are the key properties of 2,4-difluoro-3-methylthiophene?
2,4-difluoro-3-methylthiophene has a molecular weight of 134.15 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methylthiophene is sourced from PubChem (CID 138495007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).