3-(difluoromethoxy)-2-methylthiophene

C6H6F2OS — CID 22980780

IUPAC3-(difluoromethoxy)-2-methylthiophene
SMILESCc1sccc1OC(F)F
InChIInChI=1S/C6H6F2OS/c1-4-5(2-3-10-4)9-6(7)8/h2-3,6H,1H3
InChIKeyDFFIBFLRDIWZFZ-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.66
Rot. Bonds2

About 3-(difluoromethoxy)-2-methylthiophene

3-(difluoromethoxy)-2-methylthiophene (PubChem CID 22980780) has the molecular formula C6H6F2OS and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-methylthiophene.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-methylthiophene
PubChem CID22980780
Molecular FormulaC6H6F2OS
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name3-(difluoromethoxy)-2-methylthiophene
SMILESCc1sccc1OC(F)F
InChIInChI=1S/C6H6F2OS/c1-4-5(2-3-10-4)9-6(7)8/h2-3,6H,1H3
InChIKeyDFFIBFLRDIWZFZ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-methylthiophene?
The IUPAC name of 3-(difluoromethoxy)-2-methylthiophene (CID 22980780) is 3-(difluoromethoxy)-2-methylthiophene.
What is the SMILES notation for 3-(difluoromethoxy)-2-methylthiophene?
The canonical SMILES for 3-(difluoromethoxy)-2-methylthiophene is Cc1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-methylthiophene?
The InChIKey is DFFIBFLRDIWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2OS/c1-4-5(2-3-10-4)9-6(7)8/h2-3,6H,1H3.
What are the key properties of 3-(difluoromethoxy)-2-methylthiophene?
3-(difluoromethoxy)-2-methylthiophene has a molecular weight of 164.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-methylthiophene is sourced from PubChem (CID 22980780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).