2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine

C10H12F3NOS — CID 18741285

IUPAC2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine
SMILESCC(C)c1ncccc1S(=O)CC(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(2)9-8(4-3-5-14-9)16(15)6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyFXQQMXUBDABSFN-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.87
Rot. Bonds3

About 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine

2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine (PubChem CID 18741285) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine
PubChem CID18741285
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine
SMILESCC(C)c1ncccc1S(=O)CC(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(2)9-8(4-3-5-14-9)16(15)6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyFXQQMXUBDABSFN-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine?
The IUPAC name of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine (CID 18741285) is 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine.
What is the SMILES notation for 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine?
The canonical SMILES for 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine is CC(C)c1ncccc1S(=O)CC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine?
The InChIKey is FXQQMXUBDABSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-7(2)9-8(4-3-5-14-9)16(15)6-10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine?
2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine has a molecular weight of 251.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfinyl)pyridine is sourced from PubChem (CID 18741285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).