2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene

C7H4F6OS — CID 151211976

IUPAC2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene
SMILESCc1scc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4F6OS/c1-3-5(6(8,9)10)4(2-15-3)14-7(11,12)13/h2H,1H3
InChIKeyNKMAARGOJHWGLD-UHFFFAOYSA-N
MW250.16 g/mol
LogP3.97
Rot. Bonds1

About 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene

2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene (PubChem CID 151211976) has the molecular formula C7H4F6OS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene
PubChem CID151211976
Molecular FormulaC7H4F6OS
Molecular Weight250.16 g/mol
Exact Mass249.99
IUPAC Name2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene
SMILESCc1scc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4F6OS/c1-3-5(6(8,9)10)4(2-15-3)14-7(11,12)13/h2H,1H3
InChIKeyNKMAARGOJHWGLD-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69935492
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CID 90260607
CID 90260607
CID 91108074
CID 91108074
CID 91394201
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CID 144170998
CID 144170998
CID 144176319
CID 144176319
CID 144946131
CID 144946131
CID 145600147
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CID 144176320
CID 144176320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene?
The IUPAC name of 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene (CID 151211976) is 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene?
The canonical SMILES for 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene is Cc1scc(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene?
The InChIKey is NKMAARGOJHWGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6OS/c1-3-5(6(8,9)10)4(2-15-3)14-7(11,12)13/h2H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene?
2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene has a molecular weight of 250.16 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethoxy)-3-(trifluoromethyl)thiophene is sourced from PubChem (CID 151211976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).