3-(difluoromethoxy)-2,5-dimethylthiophene

C7H8F2OS — CID 58153014

IUPAC3-(difluoromethoxy)-2,5-dimethylthiophene
SMILESCc1cc(OC(F)F)c(C)s1
InChIInChI=1S/C7H8F2OS/c1-4-3-6(5(2)11-4)10-7(8)9/h3,7H,1-2H3
InChIKeyPPTTXSSGMJQTLV-UHFFFAOYSA-N
MW178.20 g/mol
LogP2.97
Rot. Bonds2

About 3-(difluoromethoxy)-2,5-dimethylthiophene

3-(difluoromethoxy)-2,5-dimethylthiophene (PubChem CID 58153014) has the molecular formula C7H8F2OS and a molecular weight of 178.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-(difluoromethoxy)-2,5-dimethylthiophene
PubChem CID58153014
Molecular FormulaC7H8F2OS
Molecular Weight178.20 g/mol
Exact Mass178.03
IUPAC Name3-(difluoromethoxy)-2,5-dimethylthiophene
SMILESCc1cc(OC(F)F)c(C)s1
InChIInChI=1S/C7H8F2OS/c1-4-3-6(5(2)11-4)10-7(8)9/h3,7H,1-2H3
InChIKeyPPTTXSSGMJQTLV-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2,5-dimethylthiophene?
The IUPAC name of 3-(difluoromethoxy)-2,5-dimethylthiophene (CID 58153014) is 3-(difluoromethoxy)-2,5-dimethylthiophene.
What is the SMILES notation for 3-(difluoromethoxy)-2,5-dimethylthiophene?
The canonical SMILES for 3-(difluoromethoxy)-2,5-dimethylthiophene is Cc1cc(OC(F)F)c(C)s1.
What is the InChIKey of 3-(difluoromethoxy)-2,5-dimethylthiophene?
The InChIKey is PPTTXSSGMJQTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2OS/c1-4-3-6(5(2)11-4)10-7(8)9/h3,7H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-2,5-dimethylthiophene?
3-(difluoromethoxy)-2,5-dimethylthiophene has a molecular weight of 178.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2,5-dimethylthiophene is sourced from PubChem (CID 58153014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).