3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine

C11H11F5N2O — CID 171994612

IUPAC3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine
SMILESCOC1(C(F)(F)F)CN(Cc2ncc(F)cc2F)C1
InChIInChI=1S/C11H11F5N2O/c1-19-10(11(14,15)16)5-18(6-10)4-9-8(13)2-7(12)3-17-9/h2-3H,4-6H2,1H3
InChIKeyKUFZJAJYUCAFKU-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.12
Rot. Bonds3

About 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine

3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine (PubChem CID 171994612) has the molecular formula C11H11F5N2O and a molecular weight of 282.21 g/mol. Its IUPAC name is 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine
PubChem CID171994612
Molecular FormulaC11H11F5N2O
Molecular Weight282.21 g/mol
Exact Mass282.08
IUPAC Name3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine
SMILESCOC1(C(F)(F)F)CN(Cc2ncc(F)cc2F)C1
InChIInChI=1S/C11H11F5N2O/c1-19-10(11(14,15)16)5-18(6-10)4-9-8(13)2-7(12)3-17-9/h2-3H,4-6H2,1H3
InChIKeyKUFZJAJYUCAFKU-UHFFFAOYSA-N
XLogP2.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine?
The IUPAC name of 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine (CID 171994612) is 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine?
The canonical SMILES for 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine is COC1(C(F)(F)F)CN(Cc2ncc(F)cc2F)C1.
What is the InChIKey of 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine?
The InChIKey is KUFZJAJYUCAFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O/c1-19-10(11(14,15)16)5-18(6-10)4-9-8(13)2-7(12)3-17-9/h2-3H,4-6H2,1H3.
What are the key properties of 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine?
3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine has a molecular weight of 282.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl]pyridine is sourced from PubChem (CID 171994612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).