1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C16H22F3NO3 — CID 111448372

IUPAC1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC1COCC(C)N1CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO3/c1-11-8-22-9-12(2)20(11)7-14(21)10-23-15-5-3-4-13(6-15)16(17,18)19/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyKYKWXWURHXKKLN-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.55
Rot. Bonds5

About 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 111448372) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID111448372
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC Name1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC1COCC(C)N1CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO3/c1-11-8-22-9-12(2)20(11)7-14(21)10-23-15-5-3-4-13(6-15)16(17,18)19/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyKYKWXWURHXKKLN-UHFFFAOYSA-N
XLogP2.55
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906834
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906345
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 111102933
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
N'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine-4-carboximidamide
CID 111082529
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
(1S,3R,4R,5R)-4-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-methylcyclopentane-1,3-diol
CID 71157349

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 111448372) is 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is CC1COCC(C)N1CC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is KYKWXWURHXKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-11-8-22-9-12(2)20(11)7-14(21)10-23-15-5-3-4-13(6-15)16(17,18)19/h3-6,11-12,14,21H,7-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 333.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 111448372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).