5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine

C11H15F2NO — CID 137409390

IUPAC5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine
SMILESCCc1cc(C(C)C)ncc1OC(F)F
InChIInChI=1S/C11H15F2NO/c1-4-8-5-9(7(2)3)14-6-10(8)15-11(12)13/h5-7,11H,4H2,1-3H3
InChIKeyBFHKVOHRPNFOSJ-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.37
Rot. Bonds4

About 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine

5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine (PubChem CID 137409390) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine
PubChem CID137409390
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine
SMILESCCc1cc(C(C)C)ncc1OC(F)F
InChIInChI=1S/C11H15F2NO/c1-4-8-5-9(7(2)3)14-6-10(8)15-11(12)13/h5-7,11H,4H2,1-3H3
InChIKeyBFHKVOHRPNFOSJ-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine?
The IUPAC name of 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine (CID 137409390) is 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine?
The canonical SMILES for 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine is CCc1cc(C(C)C)ncc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine?
The InChIKey is BFHKVOHRPNFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-4-8-5-9(7(2)3)14-6-10(8)15-11(12)13/h5-7,11H,4H2,1-3H3.
What are the key properties of 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine?
5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine has a molecular weight of 215.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine is sourced from PubChem (CID 137409390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).