2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene

C15H15F3S — CID 59066519

IUPAC2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3S/c1-14(2,3)13-9-8-12(19-13)10-4-6-11(7-5-10)15(16,17)18/h4-9H,1-3H3
InChIKeyPOGKMTRTYIYFFJ-UHFFFAOYSA-N
MW284.35 g/mol
LogP5.73
Rot. Bonds1

About 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene

2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 59066519) has the molecular formula C15H15F3S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID59066519
Molecular FormulaC15H15F3S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3S/c1-14(2,3)13-9-8-12(19-13)10-4-6-11(7-5-10)15(16,17)18/h4-9H,1-3H3
InChIKeyPOGKMTRTYIYFFJ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.35
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene (CID 59066519) is 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene is CC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is POGKMTRTYIYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3S/c1-14(2,3)13-9-8-12(19-13)10-4-6-11(7-5-10)15(16,17)18/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene?
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 284.35 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 59066519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).