4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene

C19H12F6OS — CID 141057638

IUPAC4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H12F6OS/c20-18(21,22)14-3-1-13(2-4-14)17-9-12(11-27-17)10-26-16-7-5-15(6-8-16)19(23,24)25/h1-9,11H,10H2
InChIKeyBOFKBMGJRIQQHT-UHFFFAOYSA-N
MW402.36 g/mol
LogP7.03
Rot. Bonds4

About 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene

4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 141057638) has the molecular formula C19H12F6OS and a molecular weight of 402.36 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID141057638
Molecular FormulaC19H12F6OS
Molecular Weight402.36 g/mol
Exact Mass402.05
IUPAC Name4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H12F6OS/c20-18(21,22)14-3-1-13(2-4-14)17-9-12(11-27-17)10-26-16-7-5-15(6-8-16)19(23,24)25/h1-9,11H,10H2
InChIKeyBOFKBMGJRIQQHT-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.36
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene (CID 141057638) is 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene is FC(F)(F)c1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is BOFKBMGJRIQQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6OS/c20-18(21,22)14-3-1-13(2-4-14)17-9-12(11-27-17)10-26-16-7-5-15(6-8-16)19(23,24)25/h1-9,11H,10H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 402.36 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 141057638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).