ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol

C19H26F3NO3 — CID 144950013

IUPACethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol
SMILESCC.COC.Cc1cccc(-c2cc(OCCO)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3NO2.C2H6O.C2H6/c1-10-3-2-4-14(19-10)11-7-12(15(16,17)18)9-13(8-11)21-6-5-20;1-3-2;1-2/h2-4,7-9,20H,5-6H2,1H3;1-2H3;1-2H3
InChIKeyFSLZBHRWGIBKOZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.74
Rot. Bonds4

About ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol

ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol (PubChem CID 144950013) has the molecular formula C19H26F3NO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Nameethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol
PubChem CID144950013
Molecular FormulaC19H26F3NO3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Nameethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol
SMILESCC.COC.Cc1cccc(-c2cc(OCCO)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3NO2.C2H6O.C2H6/c1-10-3-2-4-14(19-10)11-7-12(15(16,17)18)9-13(8-11)21-6-5-20;1-3-2;1-2/h2-4,7-9,20H,5-6H2,1H3;1-2H3;1-2H3
InChIKeyFSLZBHRWGIBKOZ-UHFFFAOYSA-N
XLogP4.74
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 142266365
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 44546314
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
CID 50877449
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668
2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246837
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol (CID 144950013) is ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol is CC.COC.Cc1cccc(-c2cc(OCCO)cc(C(F)(F)F)c2)n1.
What is the InChIKey of ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is FSLZBHRWGIBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2.C2H6O.C2H6/c1-10-3-2-4-14(19-10)11-7-12(15(16,17)18)9-13(8-11)21-6-5-20;1-3-2;1-2/h2-4,7-9,20H,5-6H2,1H3;1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol?
ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 373.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;2-[3-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 144950013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).