2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine

C14H14F3NS — CID 121384457

IUPAC2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)c(-c2ccsc2)cn1
InChIInChI=1S/C14H14F3NS/c1-13(2,3)12-6-11(14(15,16)17)10(7-18-12)9-4-5-19-8-9/h4-8H,1-3H3
InChIKeySTLMDTQCPUYEEW-UHFFFAOYSA-N
MW285.33 g/mol
LogP5.13
Rot. Bonds1

About 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine

2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine (PubChem CID 121384457) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine
PubChem CID121384457
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)c(-c2ccsc2)cn1
InChIInChI=1S/C14H14F3NS/c1-13(2,3)12-6-11(14(15,16)17)10(7-18-12)9-4-5-19-8-9/h4-8H,1-3H3
InChIKeySTLMDTQCPUYEEW-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.33
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine (CID 121384457) is 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)c(-c2ccsc2)cn1.
What is the InChIKey of 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine?
The InChIKey is STLMDTQCPUYEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-13(2,3)12-6-11(14(15,16)17)10(7-18-12)9-4-5-19-8-9/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine?
2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine has a molecular weight of 285.33 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 121384457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).