2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine

C11H15F2NO3S — CID 118445020

IUPAC2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
SMILESCC(C)(C)c1ncc(OC(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C11H15F2NO3S/c1-11(2,3)9-8(18(4,15)16)5-7(6-14-9)17-10(12)13/h5-6,10H,1-4H3
InChIKeyIPCUXDVFFVAWHZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.38
Rot. Bonds3

About 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine

2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine (PubChem CID 118445020) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
PubChem CID118445020
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
SMILESCC(C)(C)c1ncc(OC(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C11H15F2NO3S/c1-11(2,3)9-8(18(4,15)16)5-7(6-14-9)17-10(12)13/h5-6,10H,1-4H3
InChIKeyIPCUXDVFFVAWHZ-UHFFFAOYSA-N
XLogP2.38
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
The IUPAC name of 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine (CID 118445020) is 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
The canonical SMILES for 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine is CC(C)(C)c1ncc(OC(F)F)cc1S(C)(=O)=O.
What is the InChIKey of 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
The InChIKey is IPCUXDVFFVAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-11(2,3)9-8(18(4,15)16)5-7(6-14-9)17-10(12)13/h5-6,10H,1-4H3.
What are the key properties of 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine has a molecular weight of 279.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine is sourced from PubChem (CID 118445020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).