2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine

C15H20F3NO — CID 142536166

IUPAC2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
SMILESCC(COc1ccc(C(F)(F)F)cn1)CC1CC(C)C1
InChIInChI=1S/C15H20F3NO/c1-10-5-12(6-10)7-11(2)9-20-14-4-3-13(8-19-14)15(16,17)18/h3-4,8,10-12H,5-7,9H2,1-2H3
InChIKeySMMYILZBAFIJLE-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.55
Rot. Bonds5

About 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine

2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine (PubChem CID 142536166) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
PubChem CID142536166
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
SMILESCC(COc1ccc(C(F)(F)F)cn1)CC1CC(C)C1
InChIInChI=1S/C15H20F3NO/c1-10-5-12(6-10)7-11(2)9-20-14-4-3-13(8-19-14)15(16,17)18/h3-4,8,10-12H,5-7,9H2,1-2H3
InChIKeySMMYILZBAFIJLE-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97030726
2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 166826439
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol;dihydrochloride
CID 146119540
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine
CID 58923251
6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287042
ethane;2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 143180631

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine (CID 142536166) is 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine is CC(COc1ccc(C(F)(F)F)cn1)CC1CC(C)C1.
What is the InChIKey of 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is SMMYILZBAFIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-5-12(6-10)7-11(2)9-20-14-4-3-13(8-19-14)15(16,17)18/h3-4,8,10-12H,5-7,9H2,1-2H3.
What are the key properties of 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine?
2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 287.32 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 142536166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).