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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Related Compounds

Thiophene, 2-methoxy-5-methyl-
CID 141615
Thiophene, 2-methyl-3-(trifluoromethoxy)-
CID 68374546
Thiophene, 2-methyl-5-(trifluoromethoxy)-
CID 68374547
2-Methyl-4-(trifluoromethoxy)thiophene
CID 68374548
5-Methoxy-2-vinylthiophene
CID 57450985
5-Methoxy-2-ethylthiophene
CID 59502951
3-(3-Methoxy-2-thienyl)propen
CID 129646589
Thiophene, 3-methoxy-2,5-dimethyl-
CID 143484
5,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran
CID 18323981
3-(Difluoromethoxy)-2-methylthiophene
CID 22980780
2-(Difluoromethoxy)-5-methylthiophene
CID 57206762
2,5-Dimethyl-3-(trifluoromethoxy)thiophene
CID 58153016

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).