2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine

C13H16F4N2O — CID 166826439

IUPAC2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
SMILESCC(C)N1CC(F)(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H16F4N2O/c1-9(2)19-6-12(14,7-19)8-20-11-4-3-10(5-18-11)13(15,16)17/h3-5,9H,6-8H2,1-2H3
InChIKeyXBXWNFUFMCPALR-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.91
Rot. Bonds4

About 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine

2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 166826439) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
PubChem CID166826439
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
SMILESCC(C)N1CC(F)(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H16F4N2O/c1-9(2)19-6-12(14,7-19)8-20-11-4-3-10(5-18-11)13(15,16)17/h3-5,9H,6-8H2,1-2H3
InChIKeyXBXWNFUFMCPALR-UHFFFAOYSA-N
XLogP2.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 157032703
5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane
CID 157032861
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 170977357
cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol;dihydrochloride
CID 146119540
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
CID 142536166
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 61208136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine (CID 166826439) is 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine is CC(C)N1CC(F)(COc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is XBXWNFUFMCPALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-9(2)19-6-12(14,7-19)8-20-11-4-3-10(5-18-11)13(15,16)17/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 292.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 166826439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).