2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine

C10H12F3NOS — CID 12992128

IUPAC2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Sc1ncccc1OCC(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(2)16-9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyFGENXPNYGNZCEB-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.52
Rot. Bonds4

About 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine

2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 12992128) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
PubChem CID12992128
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Sc1ncccc1OCC(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(2)16-9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyFGENXPNYGNZCEB-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine (CID 12992128) is 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine is CC(C)Sc1ncccc1OCC(F)(F)F.
What is the InChIKey of 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is FGENXPNYGNZCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-7(2)16-9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 251.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 12992128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).