4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene

C14H10F6O2S — CID 91026668

IUPAC4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene
SMILESCc1ccc(C(F)(F)F)cc1Oc1csc(OCC(F)(F)F)c1
InChIInChI=1S/C14H10F6O2S/c1-8-2-3-9(14(18,19)20)4-11(8)22-10-5-12(23-6-10)21-7-13(15,16)17/h2-6H,7H2,1H3
InChIKeyPTKGBMNUAWSSNI-UHFFFAOYSA-N
MW356.29 g/mol
LogP5.81
Rot. Bonds4

About 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene

4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene (PubChem CID 91026668) has the molecular formula C14H10F6O2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene.

Molecular Properties

Compound Name4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene
PubChem CID91026668
Molecular FormulaC14H10F6O2S
Molecular Weight356.29 g/mol
Exact Mass356.03
IUPAC Name4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene
SMILESCc1ccc(C(F)(F)F)cc1Oc1csc(OCC(F)(F)F)c1
InChIInChI=1S/C14H10F6O2S/c1-8-2-3-9(14(18,19)20)4-11(8)22-10-5-12(23-6-10)21-7-13(15,16)17/h2-6H,7H2,1H3
InChIKeyPTKGBMNUAWSSNI-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.29
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
CID 58394326
CID 58394326
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine
CID 155732807
4-tert-butyl-1-methyl-2-[3-methyl-3-[4-(trifluoromethyl)phenyl]butoxy]benzene
CID 126626598
2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70317978
2-iodo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 156598259
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene?
The IUPAC name of 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene (CID 91026668) is 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene.
What is the SMILES notation for 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene?
The canonical SMILES for 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene is Cc1ccc(C(F)(F)F)cc1Oc1csc(OCC(F)(F)F)c1.
What is the InChIKey of 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene?
The InChIKey is PTKGBMNUAWSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6O2S/c1-8-2-3-9(14(18,19)20)4-11(8)22-10-5-12(23-6-10)21-7-13(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene?
4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene has a molecular weight of 356.29 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(trifluoromethyl)phenoxy]-2-(2,2,2-trifluoroethoxy)thiophene is sourced from PubChem (CID 91026668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).