3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene

C15H15F3OS — CID 58863072

IUPAC3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene
SMILESCC(C)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C15H15F3OS/c1-10(2)19-9-12-8-13(11-6-4-3-5-7-11)14(20-12)15(16,17)18/h3-8,10H,9H2,1-2H3
InChIKeyUVZLARGEHAYUHK-UHFFFAOYSA-N
MW300.34 g/mol
LogP5.36
Rot. Bonds4

About 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene

3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene (PubChem CID 58863072) has the molecular formula C15H15F3OS and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene
PubChem CID58863072
Molecular FormulaC15H15F3OS
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene
SMILESCC(C)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C15H15F3OS/c1-10(2)19-9-12-8-13(11-6-4-3-5-7-11)14(20-12)15(16,17)18/h3-8,10H,9H2,1-2H3
InChIKeyUVZLARGEHAYUHK-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.34
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene?
The IUPAC name of 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene (CID 58863072) is 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene?
The canonical SMILES for 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene is CC(C)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene?
The InChIKey is UVZLARGEHAYUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3OS/c1-10(2)19-9-12-8-13(11-6-4-3-5-7-11)14(20-12)15(16,17)18/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene?
3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene has a molecular weight of 300.34 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(propan-2-yloxymethyl)-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 58863072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).